BDBM50210371 CHEMBL388030::N-(2-((4-cyano-4-(3-fluorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide

SMILES: Fc1cccc(c1)C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N

InChI Key: InChIKey=KINFYPLEHVOHBB-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 = 50210371   

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))	BDBM50210371 (CHEMBL388030 | N-(2-((4-cyano-4-(3-fluorophenyl)cy...) Show SMILES Fc1cccc(c1)C1(CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1)C#N |(20.86,-36.92,;21.64,-35.6,;23.18,-35.6,;23.96,-34.29,;23.2,-32.94,;21.66,-32.93,;20.87,-34.25,;20.9,-31.59,;19.54,-32.41,;18.22,-31.64,;18.21,-30.09,;16.86,-29.33,;15.53,-30.11,;14.2,-30.89,;14.2,-32.44,;12.87,-33.21,;11.53,-32.44,;11.53,-30.89,;12.88,-30.12,;12.87,-28.58,;11.54,-27.8,;10.21,-28.57,;11.54,-26.26,;10.21,-25.49,;8.87,-24.72,;10.98,-24.16,;9.44,-26.83,;19.53,-29.3,;20.88,-30.06,;22.27,-30.89,;23.63,-30.18,)| Show InChI InChI=1S/C22H22F4N4O/c23-17-4-1-3-16(11-17)21(14-27)8-6-15(7-9-21)13-29-20-18(5-2-10-28-20)30-19(31)12-22(24,25)26/h1-5,10-11,15H,6-9,12-13H2,(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