BDBM50170624 1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoromethyl-phenyl)-1-[2-(4-methyl-piperazin-1-yl)-ethyl]-urea::CHEMBL187996

SMILES: CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1

InChI Key: InChIKey=WZTUZQBTOLXMEM-UHFFFAOYSA-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 = 50170624   

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))	BDBM50170624 (1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...) Show SMILES CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C28H27F4N5O/c1-35-11-13-36(14-12-35)15-16-37(27(38)34-23-7-10-25(26(29)18-23)28(30,31)32)24-8-5-21(6-9-24)22-4-2-3-20(17-22)19-33/h2-10,17-18H,11-16H2,1H3,(H,34,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	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 of human melanin concentrating hormone receptor 1				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50170624 (1-(3'-Cyano-biphenyl-4-yl)-3-(3-fluoro-4-trifluoro...) Show SMILES CN1CCN(CCN(C(=O)Nc2ccc(c(F)c2)C(F)(F)F)c2ccc(cc2)-c2cccc(c2)C#N)CC1 Show InChI InChI=1S/C28H27F4N5O/c1-35-11-13-36(14-12-35)15-16-37(27(38)34-23-7-10-25(26(29)18-23)28(30,31)32)24-8-5-21(6-9-24)22-4-2-3-20(17-22)19-33/h2-10,17-18H,11-16H2,1H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+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 of 5-hydroxytryptamine reuptake by serotonin transporter				J Med Chem 48: 4746-9 (2005) Article DOI: 10.1021/jm0503852 BindingDB Entry DOI: 10.7270/Q2P55N26
					More data for this Ligand-Target Pair