BDBM50210363 CHEMBL233886::N-(2-((4-(2-chlorophenyl)-4-cyanocyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide

SMILES: FC(F)(F)CC(=O)Nc1cccnc1NCC1CCC(CC1)(C#N)c1ccccc1Cl

InChI Key: InChIKey=DBDJSKACRLEALD-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210363   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50210363 (CHEMBL233886 | N-(2-((4-(2-chlorophenyl)-4-cyanocy...) Show SMILES FC(F)(F)CC(=O)Nc1cccnc1NCC1CCC(CC1)(C#N)c1ccccc1Cl |(4.04,-13.65,;5.38,-14.42,;6.15,-13.09,;4.62,-15.75,;6.71,-15.19,;6.71,-16.73,;5.38,-17.49,;8.04,-17.51,;8.05,-19.05,;6.71,-19.81,;6.71,-21.36,;8.05,-22.13,;9.38,-21.36,;9.38,-19.81,;10.71,-19.03,;12.04,-18.25,;13.38,-19.01,;13.4,-20.56,;14.72,-21.33,;16.08,-20.52,;16.06,-18.98,;14.71,-18.23,;17.34,-19.63,;18.59,-18.74,;16.15,-22.05,;17.5,-22.77,;17.57,-24.31,;16.27,-25.12,;14.91,-24.41,;14.84,-22.87,;13.47,-22.16,)| Show InChI InChI=1S/C22H22ClF3N4O/c23-17-5-2-1-4-16(17)21(14-27)9-7-15(8-10-21)13-29-20-18(6-3-11-28-20)30-19(31)12-22(24,25)26/h1-6,11,15H,7-10,12-13H2,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity at human bradykinin B1 receptor				Bioorg Med Chem Lett 17: 3006-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.059 BindingDB Entry DOI: 10.7270/Q29C6X4F
					More data for this Ligand-Target Pair