BDBM50210370 CHEMBL388031::N-(2-((4-cyano-4-(2,3-difluorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide

SMILES: Fc1cccc(c1F)C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N

InChI Key: InChIKey=BUYHJEVHIOXVSP-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50210370   

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))	BDBM50210370 (CHEMBL388031 | N-(2-((4-cyano-4-(2,3-difluoropheny...) Show SMILES Fc1cccc(c1F)C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N |(1.61,-8.98,;2.34,-7.63,;3.88,-7.58,;4.61,-6.23,;3.79,-4.92,;2.26,-4.96,;1.52,-6.32,;-.02,-6.37,;1.45,-3.66,;.09,-4.47,;-1.23,-3.7,;-1.25,-2.15,;-2.6,-1.39,;-3.92,-2.17,;-5.25,-2.95,;-5.25,-4.5,;-6.58,-5.27,;-7.92,-4.5,;-7.92,-2.95,;-6.58,-2.18,;-6.59,-.64,;-7.92,.14,;-9.25,-.63,;-7.92,1.68,;-9.25,2.44,;-10.59,3.21,;-8.49,3.78,;-10.02,1.11,;.08,-1.37,;1.42,-2.12,;2.72,-2.79,;3.98,-1.92,)| Show InChI InChI=1S/C22H21F5N4O/c23-16-4-1-3-15(19(16)24)21(13-28)8-6-14(7-9-21)12-30-20-17(5-2-10-29-20)31-18(32)11-22(25,26)27/h1-5,10,14H,6-9,11-12H2,(H,29,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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