Reaction Details Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50420584
Substrate
n/a
Meas. Tech.
ChEMBL_841721 (CHEMBL2092264)
Ki
34±n/a nM
Citation
 Barth, M; Bondoux, M; Luccarini, JM; Peyrou, V; Dodey, P; Pruneau, D; Massardier, C; Paquet, JL From bradykinin B2 receptor antagonists to orally active and selective bradykinin B1 receptor antagonists. J Med Chem 55:2574-84 (2012) [PubMed]  Article 
Target
Name:
B1 bradykinin receptor
Synonyms:
B1 BRADYKININ | B1 bradykinin receptor | B1R | BDKRB1 | BK-1 receptor | BKRB1_HUMAN | BRADYB1 | Bradykinin B1 receptor
Type:
Enzyme
Mol. Mass.:
40508.87
Organism:
Homo sapiens (Human)
Description:
P46663
Residue:
353
Sequence:
MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
  
Inhibitor
Name:
BDBM50420584
Synonyms:
CHEMBL2087419
Type:
Small organic molecule
Emp. Form.:
C25H40N4O5S
Mol. Mass.:
508.674
SMILES:
COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)[C@H]1CN2CCC1CC2 |r,wU:27.28,(10.11,-44.7,;10.11,-46.24,;11.44,-47.01,;12.78,-46.24,;14.12,-47,;15.32,-45.98,;14.12,-48.56,;12.78,-49.34,;12.78,-50.88,;11.44,-48.56,;15.46,-49.33,;16.22,-50.66,;14.69,-50.66,;16.8,-48.62,;16.71,-47.02,;18.13,-49.34,;19.44,-48.53,;20.8,-49.26,;22.11,-48.45,;23.46,-49.17,;23.51,-50.71,;24.77,-48.36,;26.12,-49.1,;27.43,-48.3,;27.39,-46.76,;26.03,-46.03,;24.72,-46.83,;28.7,-45.95,;28.65,-44.42,;29.97,-43.62,;31.33,-44.35,;31.36,-45.89,;30.05,-46.69,;30.52,-45.71,;29.19,-44.94,)|
Structure:
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