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Target
B1 bradykinin receptor
Ligand
BDBM50202430
Substrate
n/a
Meas. Tech.
ChEMBL_423668 (CHEMBL913433)
Ki
62.5±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:
Homo sapiens (Human)
Description:
P46663
Residue:
353
Sequence:
MASSWPPLELQSSNQSQLFPQNATACDNAPEAWDLLHRVLPTFIISICFFGLLGNLFVLLVFLLPRRQLNVAEIYLANLAASDLVFVLGLPFWAENIWNQFNWPFGALLCRVINGVIKANLFISIFLVVAISQDRYRVLVHPMASRRQQRRRQARVTCVLIWVVGGLLSIPTFLLRSIQAVPDLNITACILLLPHEAWHFARIVELNILGFLLPLAAIVFFNYHILASLRTREEVSRTRCGGRKDSKTTALILTLVVAFLVCWAPYHFFAFLEFLFQVQAVRGCFWEDFIDLGLQLANFFAFTNSSLNPVIYVFVGRLFRTKVWELYKQCTPKSLAPISSSHRKEIFQLFWRN
Inhibitor
Name:
BDBM50202430
Synonyms:
CHEMBL220978 | N-{(1R)-1-[3,3'-difluoro-2'-(1-methyl-1H-tetraazol-5-yl)-1,1'-biphenyl-4-yl]ethyl}-1-[(trifluoroacetyl)amino]cyclopropanecarboxamide
Type:
Small organic molecule
Emp. Form.:
C22H19F5N6O2
Mol. Mass.:
494.4173
SMILES:
C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(-6.38,-42.46,;-6.38,-40.92,;-7.71,-40.15,;-9.05,-40.92,;-9.05,-42.46,;-10.38,-40.15,;-11.17,-41.48,;-11.93,-40.14,;-10.38,-38.61,;-9.05,-37.84,;-7.71,-38.61,;-9.05,-36.31,;-9.06,-34.77,;-7.52,-36.3,;-10.58,-36.32,;-5.04,-40.14,;-5.05,-38.61,;-3.72,-37.84,;-2.38,-38.61,;-2.38,-40.15,;-3.71,-40.92,;-3.72,-42.46,;-1.05,-37.84,;.29,-38.61,;1.61,-37.84,;1.61,-36.3,;.27,-35.53,;.27,-33.99,;-1.06,-36.31,;-2.39,-35.56,;-3.77,-36.2,;-4.82,-35.08,;-4.07,-33.74,;-2.56,-34.04,;-1.43,-33,)|