Detailed information for compound 1744765

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1314.54 | Formula: C59H83N19O12S2
  • H donors: 14 H acceptors: 12 LogP: -5.66 Rotable bonds: 39
    Rule of 5 violations (Lipinski): 4
  • SMILES: SC[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](Cc2c1cccc2)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCN=C(N)N)O
  • InChi: 1S/C59H83N19O12S2/c60-37(14-5-19-67-57(61)62)48(81)72-38(15-6-20-68-58(63)64)52(85)75-22-8-18-43(75)54(87)77-30-35(79)26-44(77)50(83)70-28-47(80)71-40(27-36-13-9-23-92-36)49(82)74-41(31-91)53(86)76-29-34-12-2-1-10-32(34)24-46(76)55(88)78-42-17-4-3-11-33(42)25-45(78)51(84)73-39(56(89)90)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79,91H,5-8,14-16,18-22,24-31,60H2,(H,70,83)(H,71,80)(H,72,81)(H,73,84)(H,74,82)(H,89,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35-,37+,38+,39+,40+,41+,43+,44+,45-,46-/m1/s1
  • InChiKey: SZMPTYLDFMNGEJ-OXNMUVKWSA-N  


Substructure search Similarity search

Network

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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 bradykinin receptor B2 Starlite/ChEMBL References
Cavia porcellus Bradykinin B2 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Bradykinin B2 receptor   372 aa 323 aa 20.7 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Bradykinin B2 receptor   372 aa 313 aa 19.2 %
Schistosoma mansoni adenoreceptor Bradykinin B2 receptor   372 aa 361 aa 21.1 %
Loa Loa (eye worm) hypothetical protein Bradykinin B2 receptor   372 aa 311 aa 23.5 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Bradykinin B2 receptor   372 aa 326 aa 22.7 %
Echinococcus multilocularis neuropeptide receptor Bradykinin B2 receptor   372 aa 305 aa 24.6 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor bradykinin receptor B2 391 aa 354 aa 19.2 %
Brugia malayi putative neuropeptide receptor NPR1 Bradykinin B2 receptor   372 aa 312 aa 24.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Bradykinin B2 receptor   372 aa 335 aa 22.7 %
Onchocerca volvulus Bradykinin B2 receptor   372 aa 383 aa 20.9 %
Loa Loa (eye worm) neuropeptide F receptor Bradykinin B2 receptor   372 aa 355 aa 21.4 %
Schistosoma mansoni peptide (allatostatin)-like receptor Bradykinin B2 receptor   372 aa 337 aa 25.5 %
Onchocerca volvulus Bradykinin B2 receptor   372 aa 305 aa 24.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Bradykinin B2 receptor   372 aa 339 aa 23.9 %
Echinococcus granulosus neuropeptide receptor Bradykinin B2 receptor   372 aa 338 aa 24.0 %
Schistosoma japonicum Rhodopsin, putative Bradykinin B2 receptor   372 aa 323 aa 20.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus SH2 motif 0.0019 0.0173 0.0173
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Brugia malayi Sex muscle abnormal protein 5 0.0264 0.4578 0.4578
Echinococcus multilocularis SH2 motif 0.0019 0.0173 0.0173
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Leishmania major importin beta-1 subunit, putative 0.0027 0.0305 0.0305
Echinococcus multilocularis SHC transforming protein 3 0.0019 0.0173 0.0173
Brugia malayi Muscleblind-like protein 0.0171 0.2908 0.2908
Loa Loa (eye worm) SRC-1 0.0029 0.0351 0.0351
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0019 0.0173 0.0173
Brugia malayi Probable isocitrate dehydrogenase 0.0069 0.1058 0.1058
Plasmodium vivax importin-beta 2, putative 0.0033 0.0417 0.0161
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0029 0.0351 0.0351
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0305 0.288
Echinococcus granulosus growth factor receptor bound protein 2 0.0264 0.4578 0.4578
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.026 0.026
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) STAT protein 0.0498 0.8812 0.8812
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0029 0.0351 0.0351
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.026 0.026
Onchocerca volvulus 0.0019 0.0173 1
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Echinococcus granulosus SHC transforming protein 3 0.0019 0.0173 0.0173
Entamoeba histolytica hypothetical protein 0.0027 0.0305 0.1994
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0564 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0564 1 1
Entamoeba histolytica protein kinase, putative 0.0019 0.0173 0.113
Onchocerca volvulus 0.0019 0.0173 1
Brugia malayi Protein kinase domain containing protein 0.0019 0.0173 0.0173
Echinococcus multilocularis snurportin 1 0.0353 0.6181 0.6181
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0029 0.0351 0.0351
Schistosoma mansoni tyrosine kinase 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0019 0.0173 0.0173
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0564 1 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0264 0.4578 0.4578
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0564 1 1
Echinococcus granulosus SH2 motif 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase shark 0.0019 0.0173 0.0173
Schistosoma mansoni tensin 0.0019 0.0173 0.0173
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0564 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0417 0.0417
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0019 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0019 0.0173 0.0173
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0069 0.1058 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0029 0.0351 0.0351
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0029 0.0351 0.0351
Brugia malayi Variant SH3 domain containing protein 0.0029 0.0351 0.0351
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0019 0.0173 0.0173
Echinococcus multilocularis tensin 0.0019 0.0173 0.0173
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0019 0.0173 0.0173
Echinococcus granulosus muscleblind protein 0.0171 0.2908 0.2908
Leishmania major GTP-binding protein, putative 0.0024 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0171 0.2908 0.2908
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Schistosoma mansoni tyrosine kinase 0.0029 0.0351 0.0351
Brugia malayi protein-tyrosine kinase 0.0019 0.0173 0.0173
Echinococcus multilocularis NCK adaptor protein 0.0029 0.0351 0.0351
Echinococcus granulosus tyrosine kinase 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0019 0.0173 0.0173
Entamoeba histolytica Ran family GTPase 0.0024 0.026 0.1702
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0029 0.0351 0.0351
Echinococcus granulosus signal transduction protein lnk realted 0.0019 0.0173 0.0173
Brugia malayi SRC-1 0.0029 0.0351 0.0351
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0069 0.1058 0.1058
Schistosoma mansoni growth factor receptor-bound protein 0.0264 0.4578 0.4578
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.026 0.5
Schistosoma mansoni ran 0.0024 0.026 0.026
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Loa Loa (eye worm) SH2 domain-containing protein 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase Srms 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0029 0.0351 0.0351
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0019 0.0173 0.0173
Loa Loa (eye worm) TK/ABL protein kinase 0.0019 0.0173 0.0173
Plasmodium falciparum importin beta, putative 0.0033 0.0417 0.0161
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0564 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Schistosoma mansoni ran 0.0024 0.026 0.026
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0029 0.0351 0.0351
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0019 0.0173 0.0173
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0019 0.0173 0.0173
Echinococcus granulosus NCK adaptor protein 0.0029 0.0351 0.0351
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0417 0.0417
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0095 0.1528 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0564 1 1
Brugia malayi Protein kinase domain containing protein 0.0019 0.0173 0.0173
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0029 0.0351 0.0351
Echinococcus granulosus expressed conserved protein 0.0019 0.0173 0.0173
Schistosoma mansoni growth factor receptor-bound protein 0.0264 0.4578 0.4578
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0069 0.1058 0.1058
Echinococcus multilocularis SH2 motif 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein kinase Fyn 0.0029 0.0351 0.0351
Onchocerca volvulus 0.0019 0.0173 1
Echinococcus granulosus hypothetical protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0069 0.1058 0.1058
Onchocerca volvulus 0.0019 0.0173 1
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.2288 0.2288
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0019 0.0173 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0029 0.0351 0.0351
Brugia malayi tRNA modification GTPase TrmE family protein 0.0019 0.0173 0.0173
Echinococcus multilocularis muscleblind protein 0.0171 0.2908 0.2908
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0029 0.0351 0.0351
Echinococcus granulosus tyrosine protein kinase Lyn 0.0029 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Schistosoma mansoni suppressor of cytokine signaling 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein kinase Src42A 0.0019 0.0173 0.0173
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0069 0.1058 0.1058
Toxoplasma gondii isocitrate dehydrogenase 0.0564 1 1
Brugia malayi STAT protein, DNA binding domain containing protein 0.0498 0.8812 0.8812
Schistosoma mansoni signal transduction protein lnk-related 0.0019 0.0173 0.0173
Echinococcus multilocularis 0.0019 0.0173 0.0173
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0069 0.1058 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0019 0.0173 0.0173
Schistosoma mansoni tyrosine kinase 0.0029 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0564 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Schistosoma mansoni vav2 0.0019 0.0173 0.0173
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0019 0.0173 0.0173
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0029 0.0351 0.0351
Echinococcus multilocularis SH2 motif 0.0019 0.0173 0.0173
Echinococcus multilocularis growth factor receptor bound protein 2 0.0264 0.4578 0.4578
Echinococcus granulosus suppressor of cytokine signaling 6 0.0019 0.0173 0.0173
Brugia malayi Tensin 0.0019 0.0173 0.0173
Schistosoma mansoni isocitrate dehydrogenase 0.0069 0.1058 0.1058
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0069 0.1058 0.5
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0305 0.0305
Echinococcus granulosus SH2 domain containing adapter protein F 0.0019 0.0173 0.0173
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0019 0.0173 0.0173
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0029 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Echinococcus multilocularis SH2 domain containing protein 7 0.0019 0.0173 0.0173
Entamoeba histolytica tartrate dehydrogenase, putative 0.0069 0.1058 0.6924
Schistosoma mansoni SH2A 0.0019 0.0173 0.0173
Loa Loa (eye worm) SH2 domain-containing protein 0.0019 0.0173 0.0173
Brugia malayi Isocitrate dehydrogenase 0.0564 1 1
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0417 0.0161
Echinococcus granulosus tyrosine protein kinase Src64B 0.0029 0.0351 0.0351
Brugia malayi Importin beta-1 subunit 0.0033 0.0417 0.0417
Brugia malayi Protein kinase domain containing protein 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein kinase Fyn 0.0029 0.0351 0.0351
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0019 0.0173 0.0173
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0305 0.288
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0019 0.0173 0.0173
Entamoeba histolytica SH2 domain containing protein 0.0019 0.0173 0.113
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0019 0.0173 0.0173
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0019 0.0173 0.0173
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0069 0.1058 1
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0019 0.0173 0.0173
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.2288 0.2288
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0019 0.0173 0.0173
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0069 0.1058 0.1058
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0305 0.288
Loa Loa (eye worm) hypothetical protein 0.0029 0.0351 0.0351
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.026 0.026
Brugia malayi hypothetical protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0171 0.2908 0.2908
Schistosoma mansoni hypothetical protein 0.0353 0.6181 0.6181
Schistosoma mansoni tensin 0.0019 0.0173 0.0173
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0029 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) SH2 domain-containing protein 0.0019 0.0173 0.0173
Echinococcus granulosus c src tyrosine kinase 0.0029 0.0351 0.0351
Schistosoma mansoni unc-13 (munc13) 0.0069 0.1058 0.1058
Brugia malayi hypothetical protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) TK protein kinase 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Echinococcus granulosus SH2 domain containing protein 7 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein kinase shark 0.0019 0.0173 0.0173
Schistosoma mansoni tensin 0.0019 0.0173 0.0173
Schistosoma mansoni tyrosine kinase 0.0019 0.0173 0.0173
Echinococcus multilocularis muscleblind protein 1 0.0171 0.2908 0.2908
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0095 0.1528 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0564 1 1
Onchocerca volvulus 0.0019 0.0173 1
Schistosoma mansoni suppressor of cytokine signaling 0.0019 0.0173 0.0173
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0564 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0564 1 1
Schistosoma mansoni GTPase activating protein 0.0019 0.0173 0.0173
Brugia malayi RhoGAP domain containing protein 0.0019 0.0173 0.0173
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0069 0.1058 0.1058
Echinococcus granulosus N chimaerin 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0019 0.0173 0.0173
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0095 0.1528 0.1528
Echinococcus granulosus tensin 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein kinase ABL1 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0564 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0069 0.1058 0.1058
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0029 0.0351 0.0351
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0019 0.0173 0.113
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0019 0.0173 0.0173
Schistosoma mansoni importin beta-1 0.0033 0.0417 0.0417
Echinococcus granulosus tyrosine protein kinase Fyn 0.0029 0.0351 0.0351
Schistosoma mansoni adapter molecule crk 0.0029 0.0351 0.0351
Brugia malayi RNA, U transporter 1 0.0094 0.1516 0.1516
Brugia malayi Protein kinase domain containing protein 0.0019 0.0173 0.0173
Echinococcus granulosus importin subunit beta 1 0.0033 0.0417 0.0417
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0019 0.0173 0.113
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0019 0.0173 0.0173
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0019 0.0173 0.0173
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0069 0.1058 0.1058
Echinococcus multilocularis isocitrate dehydrogenase 0.0564 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0564 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0029 0.0351 0.0351
Echinococcus multilocularis N chimaerin 0.0019 0.0173 0.0173
Onchocerca volvulus 0.0019 0.0173 1
Echinococcus granulosus tyrosine protein kinase Srms 0.0019 0.0173 0.0173
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0019 0.0173 1
Echinococcus granulosus suppressor of cytokine signaling 7 0.0019 0.0173 0.0173
Schistosoma mansoni hypothetical protein 0.0019 0.0173 0.0173
Echinococcus multilocularis signal transduction protein lnk realted 0.0019 0.0173 0.0173
Trichomonas vaginalis ran, putative 0.0024 0.026 0.2458
Schistosoma mansoni tyrosine kinase 0.0029 0.0351 0.0351
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine kinase 0.0019 0.0173 0.0173
Schistosoma mansoni nck2/grb4 0.0029 0.0351 0.0351
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Schistosoma mansoni tyrosine kinase 0.0029 0.0351 0.0351
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine protein kinase Blk 0.0019 0.0173 0.0173
Brugia malayi Tyrosine-protein kinase abl-1 0.0029 0.0351 0.0351
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.026 0.026
Brugia malayi Variant SH3 domain containing protein 0.0029 0.0351 0.0351
Leishmania major isocitrate dehydrogenase, putative 0.0069 0.1058 0.1058
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0019 0.0173 0.0173
Brugia malayi Probable isocitrate dehydrogenase 0.0069 0.1058 0.1058
Brugia malayi Protein kinase domain containing protein 0.0019 0.0173 0.0173
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0069 0.1058 0.1058
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0564 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0029 0.0351 0.0351
Schistosoma mansoni tensin-related 0.0019 0.0173 0.0173
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0417 0.0417
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0069 0.1058 0.1058
Schistosoma mansoni shc transforming protein 0.0019 0.0173 0.0173
Echinococcus multilocularis tensin 0.0019 0.0173 0.0173
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0019 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0019 0.0173 0.0173
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0564 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0029 0.0351 0.0351
Brugia malayi SH2 domain containing protein 0.0019 0.0173 0.0173
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 0.6181 0.6181
Brugia malayi cytokine inducible SH2-containing protein 5 0.0019 0.0173 0.0173
Echinococcus granulosus tyrosine kinase 0.0019 0.0173 0.0173
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0019 0.0173 0.0173
Loa Loa (eye worm) TK/FER protein kinase 0.0019 0.0173 0.0173
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0173 0.0173
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.026 0.026
Echinococcus granulosus snurportin 1 0.0353 0.6181 0.6181
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0029 0.0351 0.0351
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0019 0.0173 0.0173
Schistosoma mansoni tensin-related 0.0019 0.0173 0.0173
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0564 1 1
Brugia malayi MH2 domain containing protein 0.0137 0.2288 0.2288
Loa Loa (eye worm) hypothetical protein 0.0033 0.0417 0.0417

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.09 nM Inhibition of specific binding of [3H]-BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%. ChEMBL. 15115408
IC50 (binding) = 0.49 nM Inhibition of specific binding of [3H]-BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%. ChEMBL. 15115408

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

Bibliographic References

1 literature reference was collected for this gene.

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