Detailed information for compound 1746138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1363.57 | Formula: C65H94N20O13
  • H donors: 16 H acceptors: 13 LogP: -4.66 Rotable bonds: 47
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H](C(=O)[C@@H]1CCCN1C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCCN=C(N)N)N)Cc1ccccc1)CCCN=C(N)N
  • InChi: 1S/C65H94N20O13/c66-42(22-10-28-73-62(67)68)54(89)80-46(35-40-18-6-2-7-19-40)56(91)78-43(23-11-29-74-63(69)70)59(94)84-32-15-27-51(84)60(95)83-31-14-26-50(83)58(93)76-37-52(87)77-45(34-39-16-4-1-5-17-39)55(90)81-48(38-86)53(88)49-25-13-33-85(49)65(98)82-47(36-41-20-8-3-9-21-41)57(92)79-44(61(96)97)24-12-30-75-64(71)72/h1-9,16-21,42-51,86H,10-15,22-38,66H2,(H,76,93)(H,77,87)(H,78,91)(H,79,92)(H,80,89)(H,81,90)(H,82,98)(H,96,97)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t42-,43-,44+,45-,46+,47-,48-,49-,50-,51-/m0/s1
  • InChiKey: COQNAUDJZKBTMO-OLKWYUCKSA-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
Rattus norvegicus Bradykinin B2 receptor Starlite/ChEMBL References
Oryctolagus cuniculus 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   367 aa 304 aa 21.7 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Bradykinin B2 receptor   367 aa 294 aa 24.5 %
Echinococcus multilocularis neuropeptide receptor Bradykinin B2 receptor   367 aa 339 aa 23.3 %
Loa Loa (eye worm) neuropeptide F receptor Bradykinin B2 receptor   367 aa 355 aa 23.7 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Bradykinin B2 receptor   396 aa 317 aa 23.7 %
Echinococcus granulosus rhodopsin orphan GPCR Bradykinin B2 receptor   396 aa 323 aa 22.3 %
Onchocerca volvulus Bradykinin B2 receptor   396 aa 317 aa 19.6 %
Echinococcus granulosus neuropeptide receptor Bradykinin B2 receptor   367 aa 339 aa 23.3 %
Onchocerca volvulus Bradykinin B2 receptor   367 aa 313 aa 21.4 %
Schistosoma mansoni opsin-like receptor Bradykinin B2 receptor   367 aa 340 aa 22.4 %
Echinococcus granulosus allatostatin A receptor Bradykinin B2 receptor   396 aa 319 aa 25.7 %
Echinococcus multilocularis rhodopsin orphan GPCR Bradykinin B2 receptor   396 aa 320 aa 22.2 %
Onchocerca volvulus Bradykinin B2 receptor   396 aa 329 aa 21.6 %
Echinococcus multilocularis allatostatin A receptor Bradykinin B2 receptor   396 aa 319 aa 25.7 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Bradykinin B2 receptor   396 aa 347 aa 22.5 %
Schistosoma japonicum Rhodopsin, putative Bradykinin B2 receptor   396 aa 332 aa 22.9 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor bradykinin receptor B2 391 aa 354 aa 19.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor Bradykinin B2 receptor   367 aa 372 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni neuropeptide receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0883 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0883 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0883 1 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni amine GPCR 0.0883 1 0.5
Onchocerca volvulus 0.0883 1 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0883 1 1
Brugia malayi ORL1-like opioid receptor 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0883 1 1
Echinococcus granulosus g-protein coupled receptor 0.0883 1 1
Echinococcus granulosus sex peptide receptor 0.0883 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0883 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Schistosoma mansoni histamine h1 receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0883 1 1
Brugia malayi Serotonin receptor 0.0883 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0883 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0883 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0883 1 0.5
Onchocerca volvulus 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni biogenic amine receptor 0.0883 1 0.5
Brugia malayi hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus multilocularis sex peptide receptor 0.0883 1 1
Brugia malayi follicle stimulating hormone receptor 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0883 1 0.5
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0867 0.9813 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0883 1 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0883 1 1
Brugia malayi hypothetical protein 0.0883 1 1
Brugia malayi neuropeptide F receptor 0.0883 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0883 1 1
Echinococcus multilocularis serotonin receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus allatostatin A receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni biogenic amine receptor 0.0883 1 0.5
Schistosoma mansoni hypothetical protein 0.0883 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0883 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0883 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0883 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0883 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0883 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0883 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0883 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Brugia malayi Melatonin receptor type 1A 0.0883 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0883 1 0.5
Echinococcus granulosus orexin receptor type 2 0.0883 1 1
Echinococcus multilocularis fmrfamide receptor 0.0883 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Brugia malayi Dopamine receptor 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus neuropeptide receptor 0.0883 1 1
Schistosoma mansoni myosin xvIII 0.0883 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0883 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Brugia malayi larval opioid receptor 0.0883 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni amine GPCR 0.0883 1 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0883 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Brugia malayi hypothetical protein 0.0883 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0883 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0883 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0883 1 0.5
Brugia malayi neuropeptide F receptor 0.0883 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0883 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0883 1 1
Entamoeba histolytica endo-1,4-beta-xylanase, putative 0.0037 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0883 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0883 1 1
Brugia malayi hypothetical protein 0.0883 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0883 1 1
Brugia malayi G-protein coupled receptor 0.0883 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0883 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0883 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0883 1 1
Brugia malayi GnHR receptor homolog 0.0883 1 1
Schistosoma mansoni opsin-like receptor 0.0883 1 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus hypothetical protein 0.0883 1 1
Brugia malayi hypothetical protein 0.0883 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0883 1 0.5
Echinococcus multilocularis somatostatin receptor 0.0883 1 1
Brugia malayi Dopamine receptor protein 1 0.0883 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0883 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.0883 1 1
Echinococcus granulosus neuropeptide s receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus multilocularis fmrfamide receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Brugia malayi RE15519p 0.0883 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0883 1 1
Brugia malayi Serotonin receptor 0.0883 1 1
Schistosoma mansoni neuropeptide receptor 0.0883 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0867 0.9813 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0883 1 1
Echinococcus multilocularis serotonin receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0883 1 1
Echinococcus granulosus neuropeptide receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0883 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus g protein coupled receptor 0.0883 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0883 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0883 1 1
Brugia malayi hypothetical protein 0.0883 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0883 1 1
Echinococcus multilocularis allatostatin A receptor 0.0883 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0883 1 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.0883 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Echinococcus granulosus g protein coupled receptor 0.0883 1 1
Brugia malayi Dopamine receptor protein 2 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0883 1 1
Echinococcus multilocularis g protein coupled receptor 0.0883 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0883 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0883 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Schistosoma mansoni amine GPCR 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0883 1 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0883 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0883 1 1
Schistosoma mansoni opsin-like receptor 0.0883 1 0.5
Onchocerca volvulus 0.0883 1 0.5
Brugia malayi hypothetical protein 0.0883 1 1
Schistosoma mansoni neuropeptide receptor 0.0883 1 0.5
Brugia malayi G protein-coupled receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Brugia malayi AKH receptor 0.0883 1 1
Schistosoma mansoni neuropeptide receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus g protein coupled receptor 0.0883 1 1
Schistosoma mansoni hypothetical protein 0.0883 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0883 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0883 1 1
Echinococcus multilocularis g protein coupled receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus serotonin receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Echinococcus granulosus fmrfamide receptor 0.0883 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0883 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0883 1 0.5
Onchocerca volvulus 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0867 0.9813 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Schistosoma mansoni amine GPCR 0.0883 1 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0883 1 1
Schistosoma mansoni hypothetical protein 0.0883 1 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni amine GPCR 0.0883 1 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0883 1 1
Brugia malayi G-protein coupled receptor 0.0883 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0883 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0883 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus granulosus somatostatin receptor 0.0883 1 1
Schistosoma mansoni opsin-like receptor 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni biogenic amine receptor 0.0883 1 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Brugia malayi hypothetical protein 0.0883 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0883 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0883 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0883 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0883 1 1
Echinococcus multilocularis orexin receptor type 2 0.0883 1 1
Schistosoma mansoni hypothetical protein 0.0883 1 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0883 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0883 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0883 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0883 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0883 1 1
Brugia malayi sulfakinin receptor protein 0.0883 1 1
Onchocerca volvulus 0.0883 1 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0883 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0883 1 1
Brugia malayi putative neuropeptide receptor 0.0883 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0883 1 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0883 1 1
Schistosoma mansoni adenoreceptor 0.0883 1 0.5
Brugia malayi hypothetical protein 0.0883 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.2 10'-8M Displacement of radiolabeled NPC 567 from human bradykinin B2 receptor ChEMBL. 18983139
Kd (functional) = 5.13 In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction. ChEMBL. 8642569
Kd (functional) = 7.29 In vitro Bradykinin receptor B2 antagonist activity of the compound was determined by using rat uterus functional assay ChEMBL. 8691478
Ki (binding) = -7.9 Binding affinity towards Bradykinin receptor B2 in human S34 clone cells ChEMBL. 8691478
Ki (binding) = 2 10'-8M Displacement of radiolabeled NPC 567 from human bradykinin B2 receptor ChEMBL. 18983139
pKb (functional) = 5.16 Antagonistic activity against bradykinin B2 receptor as human umbilical vein contraction ChEMBL. 8642569

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

3 literature references were collected for this gene.

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