Reaction Details Report a problem with these data
Target
B1 bradykinin receptor
Ligand
BDBM50202421
Substrate
n/a
Meas. Tech.
ChEMBL_423668 (CHEMBL913433)
Ki
0.13±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
More Info.:
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:
Human
Description:
P46663
Residue:
353
Sequence:
MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
Inhibitor
Name:
BDBM50202421
Synonyms:
3,3'-difluoro-4'-((R)-1-{[1-(3,3,3-trifluoro-propionylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester | 3,3'-difluoro-4'-((S)-1-{[1-(3,3,3-trifluoro-propionylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester | CHEMBL373530
Type:
Small organic molecule
Emp. Form.:
C23H21F5N2O4
Mol. Mass.:
484.4159
SMILES:
COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)CC(F)(F)F)c(F)c1 |r|