Reaction Details Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50420582
Substrate
n/a
Meas. Tech.
ChEMBL_841721 (CHEMBL2092264)
Ki
3.3±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:
BDBM50420582
Synonyms:
CHEMBL2087420
Type:
Small organic molecule
Emp. Form.:
C26H42N4O5S
Mol. Mass.:
522.7
SMILES:
COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)C1CC2CCC(C1)N2C
Structure:
Search PDB for entries with ligand similarity: