Reaction Details  Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50322859
Substrate
n/a
Meas. Tech.
ChEMBL_644657 (CHEMBL1211636)
IC50
3.9±n/a nM
Citation
 Liu, Q; Qian, W; Li, A; Biswas, K; Chen, JJ; Fotsch, C; Han, N; Yuan, C; Arik, L; Biddlecome, G; Johnson, E; Kumar, G; Lester-Zeiner, D; Ng, GY; Hungate, RW; Askew, BC Aryl sulfonamides containing tetralin allylic amines as potent and selective bradykinin B1 receptor antagonists. Bioorg Med Chem Lett 20:4593-7 (2010) [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:
BDBM50322859
Synonyms:
(R)-N-((R)-6-(3-((S)-3-hydroxypyrrolidin-1-yl)prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide | CHEMBL1210745
Type:
Small organic molecule
Emp. Form.:
C33H36F3N3O4S
Mol. Mass.:
627.717
SMILES:
O[C@H]1CCN(CC(=C)c2ccc3[C@@H](CCCc3c2)NC(=O)C[C@@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)c2ccccc2)C1 |r|
Structure:
Search PDB for entries with ligand similarity: