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Target
B1 bradykinin receptor
Ligand
BDBM50222665
Substrate
n/a
Meas. Tech.
ChEMBL_446484 (CHEMBL895596)
IC50
60±n/a nM
Citation
 Dressen, D; Garofalo, AW; Hawkinson, J; Hom, D; Jagodzinski, J; Marugg, JL; Neitzel, ML; Pleiss, MA; Szoke, B; Tung, JS; Wone, DW; Wu, J; Zhang, H Preparation and optimization of a series of 3-carboxamido-5-phenacylaminopyrazole bradykinin B1 receptor antagonists. J Med Chem 50:5161-7 (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:
BDBM50222665
Synonyms:
CHEMBL429463 | N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-4-bromo-5-[(2-chlorobenzoyl)amino]-1H-pyrazole-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C18H19BrClN5O2
Mol. Mass.:
452.733
SMILES:
Clc1ccccc1C(=O)Nc1[nH]nc(C(=O)N[C@@H]2CN3CCC2CC3)c1Br |wD:17.17,TLB:16:17:21.20:23.24,(23.41,-26.81,;23.42,-28.35,;22.1,-29.12,;22.09,-30.67,;23.42,-31.44,;24.77,-30.67,;24.76,-29.11,;26.09,-28.34,;26.08,-26.8,;27.43,-29.1,;28.76,-28.33,;30.17,-28.95,;31.2,-27.8,;30.42,-26.47,;31.04,-25.06,;30.13,-23.81,;32.57,-24.89,;33.25,-23.3,;34.43,-22.5,;36.19,-22.44,;37.16,-23.98,;35.74,-24.35,;34.77,-23.27,;35.56,-21.41,;36.88,-20.64,;28.92,-26.8,;27.77,-25.77,)|
Structure:
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