Reaction Details  Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50157514
Substrate
n/a
Meas. Tech.
ChEMBL_429982 (CHEMBL917712)
Ki
41.5±n/a nM
Citation
 Kuduk, SD; Ng, C; Feng, DM; Wai, JM; Chang, RS; Harrell, CM; Murphy, KL; Ransom, RW; Reiss, D; Ivarsson, M; Mason, G; Boyce, S; Tang, C; Prueksaritanont, T; Freidinger, RM; Pettibone, DJ; Bock, MG 2,3-diaminopyridine bradykinin B1 receptor antagonists. J Med Chem 47:6439-42 (2004) [PubMed]  Article
Target
Name:
B1 bradykinin receptor
Synonyms:
BDKRB1 | BKRB1_RABIT | Bradykinin B1 receptor
Type:
PROTEIN
Mol. Mass.:
39519.62
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_796432
Residue:
352
Sequence:
MASQGPLELQPSNQSQLAPPNATSCSGAPDAWDLLHRLLPTFIIAIFTLGLLGNSFVLSVFLLARRRLSVAEIYLANLAASDLVFVLGLPFWAENVRNQFDWPFGAALCRIVNGVIKANLFISIFLVVAISQDRYSVLVHPMASRRGRRRRQAQATCALIWLAGGLLSTPTFVLRSVRAVPELNVSACILLLPHEAWHWLRMVELNLLGFLLPLAAILFFNCHILASLRRRGERVPSRCGGPRDSKSTALILTLVASFLVCWAPYHFFAFLECLWQVHAIGGCFWEEFTDLGLQLSNFSAFVNSCLNPVIYVFVGRLFRTKVWELCQQCSPRSLAPVSSSRRKEMLWGFWRN
  
Inhibitor
Name:
BDBM50157514
Synonyms:
CHEMBL221984 | N-(4-chloro-2-{(R)-1-[3'-fluoro-2'-(1-methyl-1H-tetrazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide
Type:
Small organic molecule
Emp. Form.:
C24H20ClFN8O
Mol. Mass.:
490.92
SMILES:
C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)|
Structure:
Search PDB for entries with ligand similarity: