Reaction Details Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50202422
Substrate
n/a
Meas. Tech.
ChEMBL_423668 (CHEMBL913433)
Ki
0.54±n/a nM
Citation
 Kuduk, SD; Di Marco, CN; Chang, RK; Wood, MR; Schirripa, KM; Kim, JJ; Wai, JM; DiPardo, RM; Murphy, KL; Ransom, RW; Harrell, CM; Reiss, DR; Holahan, MA; Cook, J; Hess, JF; Sain, N; Urban, MO; Tang, C; Prueksaritanont, T; Pettibone, DJ; Bock, MG Development of orally bioavailable and CNS penetrant biphenylaminocyclopropane carboxamide bradykinin B1 receptor antagonists. J Med Chem 50:272-82 (2007) [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:
BDBM50202422
Synonyms:
CHEMBL424919 | methyl 4'-{[({1-[(dichloroacetyl)amino]cyclopropyl}carbonyl)-amino]methyl}-3,3'-difluoro-1,1'-biphenyl-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C21H18Cl2F2N2O4
Mol. Mass.:
471.281
SMILES:
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(Cl)Cl)c(F)c1
Structure:
Search PDB for entries with ligand similarity: