TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 690.852 | Formula: C36H46N6O6S
H donors: 6 H acceptors: 6 LogP: 0.99 Rotable bonds: 20
Rule of 5 violations (Lipinski): 3
SMILES: O=C([C@@H](NC(=O)[C@H](NS(=O)(=O)Cc1cccc(c1)C(=O)O)CCCc1ccccc1)CCC1CCNCC1)NCc1ccc(cc1)C(=N)N
InChi: 1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1
InChiKey: OITRKHUOZGPBJI-AJQTZOPKSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor XI	Starlite/ChEMBL	No references
Homo sapiens	coagulation factor X	Starlite/ChEMBL	No references
Homo sapiens	general transcription factor IIA, 1, 19/37kDa	Starlite/ChEMBL	No references
Homo sapiens	protein C (inactivator of coagulation factors Va and VIIIa)	Starlite/ChEMBL	No references
Homo sapiens	complement component 1, s subcomponent	Starlite/ChEMBL	No references
Homo sapiens	plasminogen	Starlite/ChEMBL	No references
Homo sapiens	kallikrein B, plasma (Fletcher factor) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Echinococcus multilocularis	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
Loa Loa (eye worm)	transcription factor IIA	Get druggable targets OG5_129497	All targets in OG5_129497
Schistosoma japonicum	ko:K01346 pancreatic elastase II [EC3.4.21.71], putative	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus multilocularis	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
Candida albicans	RNA pol II transcription initiation factor TFIIA	Get druggable targets OG5_129497	All targets in OG5_129497
Schistosoma mansoni	tfiia large subunit	Get druggable targets OG5_129497	All targets in OG5_129497
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Brugia malayi	Transcription factor IIA, alpha/beta subunit family protein	Get druggable targets OG5_129497	All targets in OG5_129497
Echinococcus multilocularis	tfiia large subunit	Get druggable targets OG5_129497	All targets in OG5_129497
Schistosoma japonicum	ko:K03122 transcription initiation factor TFIIA large subunit, putative	Get druggable targets OG5_129497	All targets in OG5_129497
Echinococcus granulosus	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus multilocularis	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Candida albicans	RNA pol II transcription initiation factor TFIIA	Get druggable targets OG5_129497	All targets in OG5_129497
Echinococcus granulosus	tfiia large subunit	Get druggable targets OG5_129497	All targets in OG5_129497
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus granulosus	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Echinococcus granulosus	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Echinococcus multilocularis	tfiia large subunit	Get druggable targets OG5_129497	All targets in OG5_129497
Schistosoma japonicum	IPR004855,Transcription factor IIA, alpha/beta subunit;IPR009083,Transcription factor IIA, helical;IPR009088,Transcription facto	Get druggable targets OG5_129497	All targets in OG5_129497
Schistosoma mansoni	tfiia large subunit	Get druggable targets OG5_129497	All targets in OG5_129497
Echinococcus granulosus	tfiia large subunit	Get druggable targets OG5_129497	All targets in OG5_129497

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	cytochrome P450 reductase, putative	0.033	0.4191	0.8717
Onchocerca volvulus		0.0063	0.0301	1
Brugia malayi	FAD binding domain containing protein	0.0373	0.4807	1
Leishmania major	p450 reductase, putative	0.0373	0.4807	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0185	0.2075	0.2075
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Onchocerca volvulus		0.0063	0.0301	1
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Toxoplasma gondii	hypothetical protein	0.0063	0.0301	0.0301
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Loa Loa (eye worm)	FAD binding domain-containing protein	0.023	0.2732	0.5684
Brugia malayi	Fibulin-1 precursor	0.0048	0.0087	0.0182
Echinococcus multilocularis	fibrillin 1	0.0048	0.0087	0.0182
Entamoeba histolytica	type A flavoprotein, putative	0.0143	0.1458	0.5
Toxoplasma gondii	hypothetical protein	0.0063	0.0301	0.0301
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Onchocerca volvulus		0.0063	0.0301	1
Echinococcus multilocularis	laminin	0.0048	0.0087	0.0182
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.023	0.2732	0.5684
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0053	0.0156	0.0325
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0042	0	0.5
Onchocerca volvulus		0.0063	0.0301	1
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0373	0.4807	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Giardia lamblia	Nitric oxide synthase, inducible	0.033	0.4191	1
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0373	0.4807	1
Onchocerca volvulus		0.0063	0.0301	1
Plasmodium vivax	hypothetical protein, conserved	0.0143	0.1458	0.3033
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0048	0.0087	0.0182
Loa Loa (eye worm)	transcription factor IIA	0.0131	0.1283	0.2668
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0042	0	0.5
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0373	0.4807	1
Toxoplasma gondii	subtilisin SUB12	0.0063	0.0301	0.0301
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0048	0.0087	0.0087
Toxoplasma gondii	PAN domain-containing protein	0.0063	0.0301	0.0301
Chlamydia trachomatis	sulfite reductase	0.023	0.2732	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0042	0	0.5
Schistosoma mansoni	diflavin oxidoreductase	0.0185	0.2075	0.4316
Loa Loa (eye worm)	PAN domain-containing protein	0.0063	0.0301	0.0626
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Schistosoma mansoni	tfiia large subunit	0.0131	0.1283	0.2668
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0053	0.0156	0.0325
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0048	0.0087	0.0182
Echinococcus multilocularis	Tolloid protein 1	0.0053	0.0156	0.0325
Echinococcus multilocularis	tfiia large subunit	0.0131	0.1283	0.2668
Loa Loa (eye worm)	PAN domain-containing protein	0.0063	0.0301	0.0626
Toxoplasma gondii	microneme protein MIC17B	0.0063	0.0301	0.0301
Onchocerca volvulus		0.0063	0.0301	1
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0143	0.1458	0.3033
Onchocerca volvulus		0.0063	0.0301	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0373	0.4807	1
Echinococcus granulosus	enteropeptidase	0.0068	0.0379	0.0788
Onchocerca volvulus		0.0063	0.0301	1
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0143	0.1458	0.3033
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0063	0.0301	0.0301
Loa Loa (eye worm)	PAN domain-containing protein	0.0063	0.0301	0.0626
Giardia lamblia	Hypothetical protein	0.033	0.4191	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0068	0.0379	0.0788
Loa Loa (eye worm)	flavodoxin family protein	0.0143	0.1458	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0087	0.0182
Brugia malayi	Calcium binding EGF domain containing protein	0.0048	0.0087	0.0182
Echinococcus granulosus	methionine synthase reductase	0.023	0.2732	0.5684
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Echinococcus granulosus	tfiia large subunit	0.0131	0.1283	0.2668
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0373	0.4807	1
Brugia malayi	FAD binding domain containing protein	0.023	0.2732	0.5684
Onchocerca volvulus		0.0063	0.0301	1
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Entamoeba histolytica	type A flavoprotein, putative	0.0143	0.1458	0.5
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0048	0.0087	0.0182
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0373	0.4807	1
Treponema pallidum	flavodoxin	0.0143	0.1458	1
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0143	0.1458	0.3033
Toxoplasma gondii	PAN domain-containing protein	0.0063	0.0301	0.0301
Plasmodium vivax	flavodoxin domain containing protein	0.033	0.4191	0.8717
Echinococcus multilocularis	Mastin	0.0068	0.0379	0.0788
Schistosoma mansoni	cytochrome P450 reductase	0.0373	0.4807	1
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0188	0.2116	0.4402
Onchocerca volvulus		0.0063	0.0301	1
Toxoplasma gondii	PAN domain-containing protein	0.0063	0.0301	0.0301
Schistosoma mansoni	memapsin-2 (A01 family)	0.0283	0.3504	0.7289
Echinococcus granulosus	Tolloid protein 1	0.0053	0.0156	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0373	0.4807	1
Brugia malayi	Transcription factor IIA, alpha/beta subunit family protein	0.0131	0.1283	0.2668
Toxoplasma gondii	microneme protein, putative	0.0063	0.0301	0.0301
Brugia malayi	flavodoxin family protein	0.0373	0.4807	1
Echinococcus multilocularis	tfiia large subunit	0.0131	0.1283	0.2668
Entamoeba histolytica	type A flavoprotein, putative	0.0143	0.1458	0.5
Schistosoma mansoni	egf-like domain protein	0.0048	0.0087	0.0182
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0063	0.0301	0.0301
Echinococcus granulosus	glycoprotein Antigen 5	0.0068	0.0379	0.0788
Echinococcus multilocularis	glycoprotein Antigen 5	0.0068	0.0379	0.0788
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.033	0.4191	0.8159
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0373	0.4807	1
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0373	0.4807	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0156	0.0325
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0373	0.4807	1
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0373	0.4807	1
Onchocerca volvulus	Arrow homolog	0.0048	0.0087	0.2905
Echinococcus granulosus	tfiia large subunit	0.0131	0.1283	0.2668
Leishmania major	hypothetical protein, conserved	0.0143	0.1458	0.3033
Plasmodium vivax	transcription initiation factor IIA subunit 1, putative	0.0049	0.01	0.0209
Trichomonas vaginalis	sulfite reductase, putative	0.0373	0.4807	1
Entamoeba histolytica	type A flavoprotein, putative	0.0143	0.1458	0.5
Entamoeba histolytica	type A flavoprotein, putative	0.0143	0.1458	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0143	0.1458	0.3033
Toxoplasma gondii	microneme protein MIC17C	0.0063	0.0301	0.0301
Toxoplasma gondii	microneme protein MIC17A	0.0063	0.0301	0.0301
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Onchocerca volvulus		0.0063	0.0301	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0087	0.0182
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0373	0.4807	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0373	0.4807	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0048	0.0087	0.0087
Loa Loa (eye worm)	PAN domain-containing protein	0.0063	0.0301	0.0626
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Loa Loa (eye worm)	PAN domain-containing protein	0.0063	0.0301	0.0626
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0321	0.0668
Trypanosoma cruzi	p450 reductase, putative	0.0373	0.4807	1
Echinococcus multilocularis	enteropeptidase	0.0068	0.0379	0.0788
Plasmodium falciparum	nitric oxide synthase, putative	0.0373	0.4807	1
Toxoplasma gondii	PAN domain-containing protein	0.073	1	1
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Mycobacterium tuberculosis	Probable monooxygenase	0.0042	0	0.5
Toxoplasma gondii	microneme protein MIC4	0.0063	0.0301	0.0301
Brugia malayi	flavodoxin family protein	0.0143	0.1458	0.3033
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0373	0.4807	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0185	0.2075	0.2075
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0373	0.4807	1
Mycobacterium tuberculosis	Possible oxygenase	0.0042	0	0.5
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0143	0.1458	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0087	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.0626
Echinococcus granulosus	Mastin	0.0068	0.0379	0.0788
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0373	0.4807	1
Brugia malayi	PAN domain containing protein	0.0063	0.0301	0.0626
Schistosoma mansoni	tfiia large subunit	0.0131	0.1283	0.2668
Toxoplasma gondii	PAN domain-containing protein	0.0063	0.0301	0.0301
Echinococcus granulosus	laminin	0.0048	0.0087	0.0182
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0143	0.1458	0.3033
Echinococcus multilocularis	methionine synthase reductase	0.023	0.2732	0.5684

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3 nM	BindingDB_Patents: Inhibition Assay. The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)).	ChEMBL.	No reference
Ki (binding)	= 3.8 nM	Inhibition Assay	BINDINGDB.	No reference
Ki (binding)	= 70 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human FXIa was determined by the method described in [0092]-[0098] using activated human Factor XI from Enzyme Research Laboratories at 96 ng/mL and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 5 mM, 4 mM, and 2 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 70 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human FXIa was determined by the method described in [0092]-[0098] using activated human Factor XI from Enzyme Research Laboratories at 96 ng/mL and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 5 mM, 4 mM, and 2 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 310 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at 2.2 nM and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 310 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at 2.2 nM and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 1200 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human C1s was determined by the method described in [0092]-[0098] using native human activated C1s complement component from Calbiochem at 29 nM and Val-Ser-Arg-pNA (S2314) at 8 mM, 6 mM, and 4 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 1200 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human C1s was determined by the method described in [0092]-[0098] using native human activated C1s complement component from Calbiochem at 29 nM and Val-Ser-Arg-pNA (S2314) at 8 mM, 6 mM, and 4 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 2400 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human FXa was determined by the method described in [0092]-[0098] using activated human Factor X from Enzyme Research Laboratories at 5 mIU/mL and MeOCO-d-Cha-Gly-Arg-pNA (Pefachrome FXa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 2400 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human FXa was determined by the method described in [0092]-[0098] using activated human Factor X from Enzyme Research Laboratories at 5 mIU/mL and MeOCO-d-Cha-Gly-Arg-pNA (Pefachrome FXa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 4400 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human FIIa was determined by the method described in [0092]-[0098] using human alpha-thrombin from Enzyme Research Laboratories at 0.1 NIH U/mL and Mes-d-Cha-Gly-Arg-pNA (Pefachrome tPA) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	= 4400 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human FIIa was determined by the method described in [0092]-[0098] using human alpha-thrombin from Enzyme Research Laboratories at 0.1 NIH U/mL and Mes-d-Cha-Gly-Arg-pNA (Pefachrome tPA) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	> 20000 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem at 100 nM and Val-Ser-Arg-pNA (S2314) at 16 mM, 12 mM, and 8 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	> 20000 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human t-PA was determined by the method described in [0092]-[0098] using recombinant human tissue-type plasminogen activator (Actilyse®) from Boehringer Ingelheim at 290 U/mL and Mes-d-Cha-Gly-Arg-pNA (Pefachrome tPA) at 4 mM, 2 mM, and 1 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference
Ki (binding)	> 20000 nM	BindingDB_Patents: Inhibition Assay. Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem at 100 nM and Val-Ser-Arg-pNA (S2314) at 16 mM, 12 mM, and 8 mM as substrate; results are reported as Ki values (nanomolar).	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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. What does this mean? / Care to help?

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL3660171

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1955187