BDBM50164250 1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea::CHEMBL366161

SMILES: O[C@@H]1CCN(CCN([C@H]2CC[C@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1

InChI Key: InChIKey=WVKGDXFNLLPPQP-WTIAFYNJSA-N

Data: 2 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 2 hits for monomerid = 50164250   

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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50164250 (1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-tr...) Show SMILES O[C@@H]1CCN(CCN([C@H]2CC[C@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 |wU:11.14,8.7,1.0,(7.96,-8.41,;7.19,-7.05,;7.82,-5.67,;6.68,-4.63,;5.34,-5.4,;4.01,-4.63,;4.01,-3.08,;2.67,-2.31,;1.33,-3.09,;1.33,-4.63,;,-5.4,;-1.35,-4.63,;-1.35,-3.09,;,-2.32,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;5.67,-6.91,)| Show InChI InChI=1S/C27H30F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-3,6,9,14-15,19,22-23,36H,4-5,7-8,10-13,17H2,(H,33,37)/t19-,22+,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition constant for human Melanin concentrating hormone receptor 1				J Med Chem 48: 2274-7 (2005) Article DOI: 10.1021/jm049035q BindingDB Entry DOI: 10.7270/Q2GH9HG1
					More data for this Ligand-Target Pair
GPR145 (Homo sapiens (Human))	BDBM50164250 (1-[4-(3-Cyano-phenyl)-cyclohexyl]-3-(4-fluoro-3-tr...) Show SMILES O[C@@H]1CCN(CCN([C@H]2CC[C@H](CC2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)C1 |wU:11.14,8.7,1.0,(7.96,-8.41,;7.19,-7.05,;7.82,-5.67,;6.68,-4.63,;5.34,-5.4,;4.01,-4.63,;4.01,-3.08,;2.67,-2.31,;1.33,-3.09,;1.33,-4.63,;,-5.4,;-1.35,-4.63,;-1.35,-3.09,;,-2.32,;-2.68,-5.4,;-4.01,-4.63,;-5.34,-5.4,;-5.34,-6.94,;-4.01,-7.71,;-2.68,-6.94,;-4.01,-9.25,;-4.01,-10.79,;2.67,-.75,;1.34,.02,;4,.02,;4,1.56,;2.67,2.33,;2.67,3.89,;4,4.64,;4,6.18,;5.34,3.89,;5.34,2.33,;6.68,4.66,;8.03,5.45,;7.47,3.31,;5.9,6.01,;5.67,-6.91,)| Show InChI InChI=1S/C27H30F4N4O2/c28-25-9-6-21(15-24(25)27(29,30)31)33-26(37)35(13-12-34-11-10-23(36)17-34)22-7-4-19(5-8-22)20-3-1-2-18(14-20)16-32/h1-3,6,9,14-15,19,22-23,36H,4-5,7-8,10-13,17H2,(H,33,37)/t19-,22+,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition constant for human Melanin concentrating hormone receptor 2				J Med Chem 48: 2274-7 (2005) Article DOI: 10.1021/jm049035q BindingDB Entry DOI: 10.7270/Q2GH9HG1
					More data for this Ligand-Target Pair