BDBM50210361 CHEMBL234097::N-(2-((4-cyano-4-(2-(trifluoromethyl)phenyl)cyclohexyl)methylamino)pyridin-3-yl)isoxazole-5-carboxamide

SMILES: FC(F)(F)c1ccccc1C1(CCC(CNc2ncccc2NC(=O)c2ccno2)CC1)C#N

InChI Key: InChIKey=GNNDELPJNRLQIM-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50210361   

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))	BDBM50210361 (CHEMBL234097 | N-(2-((4-cyano-4-(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C1(CCC(CNc2ncccc2NC(=O)c2ccno2)CC1)C#N |(22.56,-44.3,;24.1,-44.29,;24.04,-42.76,;24.17,-45.83,;25.64,-44.31,;26.4,-45.64,;27.94,-45.66,;28.72,-44.32,;27.96,-42.99,;26.42,-42.98,;25.87,-41.55,;24.52,-42.35,;23.19,-41.58,;23.18,-40.04,;21.83,-39.28,;20.5,-40.06,;19.18,-40.84,;19.18,-42.39,;17.86,-43.15,;16.52,-42.38,;16.52,-40.84,;17.86,-40.07,;17.85,-38.53,;16.52,-37.75,;15.19,-38.51,;16.52,-36.21,;17.76,-35.31,;17.29,-33.85,;15.75,-33.85,;15.28,-35.31,;24.5,-39.26,;25.85,-40.01,;27.27,-40.88,;28.66,-40.23,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-5-2-1-4-17(18)23(15-28)10-7-16(8-11-23)14-30-21-19(6-3-12-29-21)32-22(33)20-9-13-31-34-20/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,29,30)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.600	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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50210361 (CHEMBL234097 | N-(2-((4-cyano-4-(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C1(CCC(CNc2ncccc2NC(=O)c2ccno2)CC1)C#N |(22.56,-44.3,;24.1,-44.29,;24.04,-42.76,;24.17,-45.83,;25.64,-44.31,;26.4,-45.64,;27.94,-45.66,;28.72,-44.32,;27.96,-42.99,;26.42,-42.98,;25.87,-41.55,;24.52,-42.35,;23.19,-41.58,;23.18,-40.04,;21.83,-39.28,;20.5,-40.06,;19.18,-40.84,;19.18,-42.39,;17.86,-43.15,;16.52,-42.38,;16.52,-40.84,;17.86,-40.07,;17.85,-38.53,;16.52,-37.75,;15.19,-38.51,;16.52,-36.21,;17.76,-35.31,;17.29,-33.85,;15.75,-33.85,;15.28,-35.31,;24.5,-39.26,;25.85,-40.01,;27.27,-40.88,;28.66,-40.23,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-5-2-1-4-17(18)23(15-28)10-7-16(8-11-23)14-30-21-19(6-3-12-29-21)32-22(33)20-9-13-31-34-20/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,29,30)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Antagonist activity in human bradykinin B1 receptor by FLIPR method				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