BDBM50210372 CHEMBL234296::N-(2-((4-cyano-4-(2-fluorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide

SMILES: Fc1ccccc1C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N

InChI Key: InChIKey=BNJMGZZJFFELEK-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 = 50210372   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50210372 (CHEMBL234296 | N-(2-((4-cyano-4-(2-fluorophenyl)cy...) Show SMILES Fc1ccccc1C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N |(-3.57,-32.99,;-2.04,-32.97,;-1.24,-34.29,;.29,-34.27,;1.05,-32.93,;.26,-31.61,;-1.28,-31.62,;-2.06,-30.31,;-3.42,-31.12,;-4.74,-30.35,;-4.76,-28.8,;-6.11,-28.04,;-7.43,-28.82,;-8.76,-29.6,;-8.76,-31.15,;-10.09,-31.92,;-11.43,-31.15,;-11.43,-29.6,;-10.09,-28.84,;-10.1,-27.3,;-11.43,-26.52,;-12.77,-27.29,;-11.43,-24.98,;-12.77,-24.22,;-14.1,-23.45,;-12,-22.88,;-13.54,-25.55,;-3.44,-28.02,;-2.09,-28.77,;-.78,-29.45,;.49,-28.59,)| Show InChI InChI=1S/C22H22F4N4O/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	18	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
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