Detailed information for compound 330587
Basic information
Technical information
- TDR Targets ID: 330587
- Name: (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-na phtho[1,2-g][1]benzofuran-10,11-dione
- MW: 296.36 | Formula: C19H20O3
-
H donors: 0
H acceptors: 2
LogP: 3.8
Rotable bonds: 0
Rule of 5 violations (Lipinski): 1 - SMILES: C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C
- InChi: 1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
- InChiKey: GVKKJJOMQCNPGB-JTQLQIEISA-N
Network
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Synonyms
- (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione
- (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-quinone
- cryptotanshinone
- (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g][1]benzoxole-10,11-dione
- (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-dione
- (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[8,7-g]benzofuran-10,11-quinone
- 35825-57-1
- 4733-35-1
- MLS001049002
- SMR000387041
- NCGC00163650-01
- NCI60_031208
- SPECTRUM1505812
- ZINC02109876
- (-)-Cryptotanshinone
- Phenanthro[1,2-b]furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-
- Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-
- BB_NC-1574
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | flap structure-specific endonuclease 1 | Starlite/ChEMBL | No references |
| Homo sapiens | signal transducer and activator of transcription 3 (acute-phase response factor) | Starlite/ChEMBL | References |
| Homo sapiens | multiple endocrine neoplasia I | No references | |
| Homo sapiens | l(3)mbt-like 1 (Drosophila) | Starlite/ChEMBL | No references |
| Homo sapiens | vitamin D (1,25- dihydroxyvitamin D3) receptor | Starlite/ChEMBL | No references |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Starlite/ChEMBL | No references |
| Homo sapiens | runt-related transcription factor 1 | Starlite/ChEMBL | No references |
| Homo sapiens | carboxylesterase 2 | Starlite/ChEMBL | References |
| Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Starlite/ChEMBL | No references |
| Rattus norvegicus | Aldose reductase | Starlite/ChEMBL | No references |
| Homo sapiens | acetylcholinesterase (Yt blood group) | Starlite/ChEMBL | References |
| Streptococcus pyogenes serotype M1 | Streptokinase A | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific methyltransferase 2A | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific demethylase 4E | Starlite/ChEMBL | No references |
| Homo sapiens | microtubule-associated protein tau | Starlite/ChEMBL | No references |
| Homo sapiens | endothelial PAS domain protein 1 | References | |
| Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Homo sapiens | ATPase family, AAA domain containing 5 | Starlite/ChEMBL | No references |
| SARS coronavirus | SARS coronavirus 3C-like proteinase | Starlite/ChEMBL | References |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) | References | |
| Homo sapiens | carboxylesterase 1 | Starlite/ChEMBL | References |
| Homo sapiens | core-binding factor, beta subunit | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trichomonas vaginalis | alcohol dehydrogenase, putative | 0.0199063 | 0.279562 | 0.5 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | voltage gated potassium channel subunit | 0.0199063 | 0.279562 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0199063 | 0.279562 | 0.279562 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0199063 | 0.279562 | 0.279562 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0199063 | 0.279562 | 0.5 |
| Toxoplasma gondii | aldose reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0199063 | 0.279562 | 0.279562 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Giardia lamblia | Aldose reductase | 0.0199063 | 0.279562 | 0.5 |
| Trypanosoma brucei | aldo/keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Toxoplasma gondii | aldo/keto reductase family oxidoreductase | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Entamoeba histolytica | aldose reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Brugia malayi | STAT protein, DNA binding domain containing protein | 0.0190593 | 0.248287 | 0.248287 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Mycobacterium ulcerans | carboxylesterase, LipT | 0.0377906 | 0.939941 | 1 |
| Leishmania major | aldo-keto reductase-like protein | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Echinococcus granulosus | hypothetical protein | 0.0199063 | 0.279562 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0199063 | 0.279562 | 0.5 |
| Schistosoma mansoni | aldo-keto reductase | 0.0199063 | 0.279562 | 1 |
| Schistosoma mansoni | aldo-keto reductase | 0.0199063 | 0.279562 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0394171 | 1 | 1 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Toxoplasma gondii | oxidoreductase, aldo/keto reductase family protein | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Loa Loa (eye worm) | STAT protein | 0.0190593 | 0.248287 | 0.248287 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0199063 | 0.279562 | 0.279562 |
| Loa Loa (eye worm) | oxidoreductase | 0.0199063 | 0.279562 | 0.279562 |
| Giardia lamblia | Aldose reductase | 0.0199063 | 0.279562 | 0.5 |
| Entamoeba histolytica | aldose reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Toxoplasma gondii | aldo-keto reductase | 0.0199063 | 0.279562 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0199063 | 0.279562 | 0.279562 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Leishmania major | aldo/keto reductase, putative,aldo/keto reductase family-like protein | 0.0199063 | 0.279562 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0199063 | 0.279562 | 0.279562 |
| Echinococcus granulosus | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0199063 | 0.279562 | 0.279562 |
| Brugia malayi | hypothetical protein | 0.0394171 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | voltage gated potassium channel subunit | 0.0199063 | 0.279562 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Schistosoma mansoni | pol-related | 0.0199063 | 0.279562 | 1 |
| Trypanosoma brucei | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Brugia malayi | hypoxia-induced factor 1 | 0.0363636 | 0.887252 | 0.887252 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Mycobacterium leprae | Possible oxidoreductase | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0199063 | 0.279562 | 0.279562 |
| Entamoeba histolytica | aldose reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Schistosoma mansoni | potassium channel beta | 0.0199063 | 0.279562 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0199063 | 0.279562 | 1 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Brugia malayi | glutamate-cysteine ligase modifier subunit | 0.0199063 | 0.279562 | 0.279562 |
| Plasmodium falciparum | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Plasmodium vivax | aldehyde reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0377906 | 0.939941 | 1 |
| Plasmodium vivax | oxidoreductase, aldo/keto reductase domain containing protein | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0199063 | 0.279562 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Loa Loa (eye worm) | hypoxia-induced factor 1 | 0.0363636 | 0.887252 | 0.887252 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Onchocerca volvulus | 0.0199063 | 0.279562 | 0.5 | |
| Loa Loa (eye worm) | glutamate-cysteine ligase modifier subunit | 0.0199063 | 0.279562 | 0.279562 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Leishmania major | prostaglandin f synthase, putative | 0.0199063 | 0.279562 | 0.5 |
| Brugia malayi | NADH-dependent xylose reductase | 0.0199063 | 0.279562 | 0.279562 |
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0199063 | 0.279562 | 0.5 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Plasmodium falciparum | aldehyde reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0199063 | 0.279562 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0199063 | 0.279562 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0199063 | 0.279562 | 0.279562 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| CD50 (functional) | = 9.12 uM | Cytotoxicity against human OVCAR-3 cells by MTT assay | ChEMBL. | 16038550 |
| CD50 (functional) | = 17.2 uM | Cytotoxicity against human HeLa cells by MTT assay | ChEMBL. | 16038550 |
| CD50 (functional) | = 29.7 uM | Cytotoxicity against human HepG2 cells by MTT assay | ChEMBL. | 16038550 |
| EC50 (functional) | = 3.953 um | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] | ChEMBL. | No reference |
| EC50 (functional) | = 14.816 um | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)] | ChEMBL. | No reference |
| ED50 (functional) | = 0.16 ug ml-1 | Dose required for reduction in cell growth of human breast cancer MDA-MB-231 cell line | ChEMBL. | 15509181 |
| ED50 (functional) | = 0.16 ug ml-1 | Dose required for reduction in cell growth of human breast cancer MDA-MB-231 cell line | ChEMBL. | 15509181 |
| ED50 (functional) | = 0.41 ug ml-1 | Dose required for reduction in cell growth of human breast cancer MCF-7 cell line | ChEMBL. | 15509181 |
| ED50 (functional) | = 0.41 ug ml-1 | Dose required for reduction in cell growth of human breast cancer MCF-7 cell line | ChEMBL. | 15509181 |
| GI50 (functional) | -6.515 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.869 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.81 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.793 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.622 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.475 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.444 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.36 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.328 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -4.389 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (binding) | = 5.32 | Inhibition of Rattus norvegicus (rat) lens aldose reductase | LITERATURE. | No reference |
| IC50 (binding) | = 0.8 uM | Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluorescence assay | ChEMBL. | 22884354 |
| IC50 (binding) | = 1.36 uM | Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay | ChEMBL. | 17583950 |
| IC50 (binding) | = 1.36 uM | Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay | ChEMBL. | 17583950 |
| IC50 (binding) | = 1.58 uM | Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay | ChEMBL. | 17583950 |
| IC50 (binding) | = 1.58 uM | Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay | ChEMBL. | 17583950 |
| IC50 (binding) | = 4.6 uM | Inhibition of STAT3 expressed in human HCT116 cells after 24 hrs by luciferase reporter gene assay | ChEMBL. | 22650325 |
| IC50 (functional) | = 5.8 uM | Cytotoxicity against human MIAPaCa2 cells after 24 hrs by MTT assay | ChEMBL. | 21775156 |
| IC50 (binding) | = 10.1 uM | Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assay | ChEMBL. | 22884354 |
| IC50 (functional) | = 10.2 uM | Viability of human AGS cells under hypoxic conditions after 24 hrs by MTT assay | ChEMBL. | 17583950 |
| IC50 (functional) | = 10.2 uM | Viability of human AGS cells under hypoxic conditions after 24 hrs by MTT assay | ChEMBL. | 17583950 |
| IC50 (functional) | = 12.5 uM | Antimalarial activity after 24 hrs against chloroquine-resistant Plasmodium falciparum 3D7 by [3H]phenylalanine uptake | ChEMBL. | 11720520 |
| IC50 (functional) | = 13.5 uM | Viability of human AGS cells under normoxic conditions after 24 hrs by MTT assay | ChEMBL. | 17583950 |
| IC50 (functional) | = 13.5 uM | Viability of human AGS cells under normoxic conditions after 24 hrs by MTT assay | ChEMBL. | 17583950 |
| IC50 (functional) | = 18.4 uM | Antileishmanial activity against Leishmania major promastigotes assessed as inhibition of [3H]thymidine uptake after 2 hrs by liquid scintillation counting | ChEMBL. | 11720520 |
| IC50 (binding) | = 22.5 uM | Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (functional) | > 30 uM | Viability of human Hep3B cells under normoxic conditions after 24 hrs by MTT assay | ChEMBL. | 17583950 |
| IC50 (functional) | > 30 uM | Viability of human Hep3B cells under hypoxic conditions after 24 hrs by MTT assay | ChEMBL. | 17583950 |
| IC50 (binding) | = 33.5 uM | Inhibition of GST-tagged PTP1B (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (binding) | = 36.9 uM | Inhibition of GST-tagged LAR (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (functional) | = 37.4 uM | Inhibition of phytohemagglutininin A-stimulated human PBMC proliferation assessed as decrease in [14C]thymidine incorporation | ChEMBL. | 11720520 |
| IC50 (binding) | = 39.5 uM | Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (binding) | = 41.4 uM | Inhibition of GST-tagged CD45 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (binding) | = 45.18 uM | Inhibition of wild type GST-tagged full-length SHP2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (binding) | = 55.7 uM | Inhibition of GST-tagged TC-PTP (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (binding) | = 59.4 uM | Inhibition of GST-tagged MEG2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay | ChEMBL. | 23957426 |
| IC50 (binding) | = 69.6 uM | Inhibition of Human immunodeficiency virus 1 protease preincubated for 10 mins by FRET assay | ChEMBL. | 22884354 |
| IC50 (binding) | = 87.6 uM | Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence analysis | ChEMBL. | 22884354 |
| IC50 (binding) | = 89.8 uM | Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 mins | ChEMBL. | 22884354 |
| IC50 (functional) | 90.06 uM | PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742] | ChEMBL. | No reference |
| IC50 (binding) | = 226.7 uM | Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis | ChEMBL. | 22884354 |
| Inhibition (binding) | Inhibition of SHP2-mediated ERK1/2 phosphorylation in IL3-stimulated mouse Ba/F3 cells pretreated for 3 hrs prior IL3 stimulation by immunoblotting method | ChEMBL. | 23957426 | |
| Inhibition (binding) | Inhibition of SHP2-mediated stat5 phosphorylation in IL3-stimulated mouse Ba/F3 cells pretreated for 3 hrs prior IL3 stimulation by immunoblotting method | ChEMBL. | 23957426 | |
| Inhibition (binding) | Inhibition of SHP2-mediated Akt phosphorylation in IL3-stimulated mouse Ba/F3 cells pretreated for 3 hrs prior IL3 stimulation by immunoblotting method | ChEMBL. | 23957426 | |
| Inhibition (binding) | Inhibition of IL3-induced SHP2-Gab2 interaction in mouse Ba/F3 cells pretreated at 30 uM for 3 hrs prior IL3 stimulation by immunoblotting method | ChEMBL. | 23957426 | |
| Inhibition (binding) | Inhibition of SHP2-mediated Jak2 phosphorylation in IL3-stimulated mouse Ba/F3 cells pretreated for 3 hrs prior IL3 stimulation by immunoblotting method | ChEMBL. | 23957426 | |
| Inhibition (binding) | = 3.33 % | Inhibition of electric eel AChE at 2 mg/ml by Ellman's method | ChEMBL. | 23062825 |
| Inhibition (binding) | = 12.06 % | Inhibition of horse BChE at 2 mg/ml by Ellman's method | ChEMBL. | 23062825 |
| Inhibition (binding) | = 25 % | Inhibition of STAT3 (unknown origin) expressed in human HCT116 cells at 2 uM by dual luciferase assay | ChEMBL. | No reference |
| Inhibition (binding) | = 50 % | Inhibition of P-gp in doxorubicin-resistant human HepG2 cells assessed as potentiation of doxorubicin cytostatic effect at 25 uM by MTT assay | ChEMBL. | 20455578 |
| Inhibition (binding) | = 75 % | Inhibition of human recombinant telomerase activity in rabbit reticulocytes at 50 uM after 90 mins by telomerase assemblage gel electrophoresis | ChEMBL. | 22044621 |
| Inhibition (binding) | = 78 % | Inhibition of STAT3 in human HCT116 cells at 10 uM after 24 hrs by firefly and renilla dual luciferase assay | ChEMBL. | No reference |
| Inhibition (binding) | = 81 % | Inhibition of human iCE in human U373MG cells assessed as 4-MUA substrate hydrolysis at 1 uM after 1 hr by fluorescence spectrometry assay | ChEMBL. | 23286284 |
| Inhibition (binding) | = 85 % | Inhibition of STAT3 in human HCT116 cells at 50 uM after 24 hrs by firefly and renilla dual luciferase assay | ChEMBL. | No reference |
| Kcat (binding) | = 0.36 /s | Mixed-type inhibition of GST-tagged SHP2 (unknown origin) assessed as change in Kcat compound preincubated at 25 uM for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay (Rvb = 0.68 +/- 0.01 sec'-1) | ChEMBL. | 23957426 |
| Kcat/Km (binding) | = 2.15 /mM/s | Mixed-type inhibition of GST-tagged SHP2 (unknown origin) assessed as change in Kcat/Km compound preincubated at 25 uM for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay (Rvb = 7.25 +/- 0.32mM'-1sec'-1) | ChEMBL. | 23957426 |
| Ki (binding) | = 141 nM | Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay | ChEMBL. | 23286284 |
| Ki (binding) | = 290 nM | Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assay | ChEMBL. | 23286284 |
| Ki (binding) | = 544 nM | Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay | ChEMBL. | 23286284 |
| Ki (binding) | = 6410 nM | Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assay | ChEMBL. | 23286284 |
| Ki (binding) | > 100000 nM | Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assay | ChEMBL. | 23286284 |
| Ki (binding) | = 9 uM | Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to 120 mins | ChEMBL. | 22884354 |
| Km (binding) | = 0.17 mM | Mixed-type inhibition of GST-tagged SHP2 (unknown origin) assessed as change in Km compound preincubated at 25 uM for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay (Rvb = 0.09 +/- 0.01 mM) | ChEMBL. | 23957426 |
| Potency (functional) | = 0.8913 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 2.9362 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 3.9811 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | 4.1095 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 4.4668 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 5.8048 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Beta-Lactamase Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 7.0627 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
| Potency (binding) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (binding) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 16.3535 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] | ChEMBL. | No reference |
| Potency (functional) | 18.3564 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 19.9054 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 21.3313 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
| Potency (functional) | = 22.3872 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 23.7781 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
| Potency (functional) | 23.7781 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 26.6795 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (binding) | 44.6684 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 50.1187 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 50.1187 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Vmax (binding) | = 6.96 microM/min | Mixed-type inhibition of GST-tagged SHP2 (unknown origin) assessed as change in Vmax compound preincubated at 25 uM for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay (Rvb = 12.97 +/- 0.22 uM/min) | ChEMBL. | 23957426 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | 11720520 | |
| Leishmania major | ChEMBL23 | 11720520 | |
| Homo sapiens | ChEMBL23 | 17583950 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
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In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
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External resources for this compound
- Search by CAS
- ChEMBL: CHEMBL187460
- PubChem: 160254
Bibliographic References
8 literature references were collected for this gene.
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