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Target
B1 bradykinin receptor
Ligand
BDBM50210369
Substrate
n/a
Meas. Tech.
ChEMBL_443978 (CHEMBL893140)
Ki
49±n/a nM
Citation
 Su, DS; Lim, JL; Markowitz, MK; Wan, BL; Murphy, KL; Reiss, DR; Harrell, CM; O'Malley, SS; Ransom, RW; Chang, RS; Pettibone, DJ; Tang, C; Prueksaritanont, T; Freidinger, RM; Bock, MG Potent bradykinin B1 receptor antagonists: 4-substituted phenyl cyclohexanes. Bioorg Med Chem Lett 17:3006-9 (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:
BDBM50210369
Synonyms:
CHEMBL234513 | methyl 3-(1-cyano-4-((3-(3,3,3-trifluoropropanamido)pyridin-2-ylamino)methyl)cyclohexyl)benzoate
Type:
Small organic molecule
Emp. Form.:
C24H25F3N4O3
Mol. Mass.:
474.4755
SMILES:
COC(=O)c1cccc(c1)C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N |(33.5,-54.74,;34.26,-53.41,;33.49,-52.07,;31.96,-52.08,;34.26,-50.74,;35.8,-50.74,;36.57,-49.41,;35.8,-48.08,;34.26,-48.07,;33.48,-49.41,;33.49,-46.74,;32.13,-47.56,;30.81,-46.79,;30.79,-45.24,;29.44,-44.48,;28.12,-45.26,;26.79,-46.04,;26.79,-47.59,;25.46,-48.36,;24.12,-47.59,;24.12,-46.04,;25.46,-45.27,;25.45,-43.73,;24.12,-42.95,;22.79,-43.72,;24.12,-41.41,;22.79,-40.64,;21.45,-39.87,;23.55,-39.31,;22.02,-41.98,;32.12,-44.45,;33.47,-45.21,;34.79,-45.92,;36.08,-45.09,)|
Structure:
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