BDBM50214021 (1S,3S)-N1-(2-chloro-4-(methylsulfonyl)benzyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine::CHEMBL398964

SMILES: COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(cc3Cl)S(C)(=O)=O)nc2c1

InChI Key: InChIKey=VMQFUMMMSSYUEF-OALUTQOASA-N

Data: 1 IC50

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 = 50214021   

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))	BDBM50214021 ((1S,3S)-N1-(2-chloro-4-(methylsulfonyl)benzyl)-N3-...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccc(cc3Cl)S(C)(=O)=O)nc2c1 Show InChI InChI=1S/C25H30ClN3O3S/c1-16-11-25(29-24-13-20(32-2)8-10-22(16)24)28-19-6-4-5-18(12-19)27-15-17-7-9-21(14-23(17)26)33(3,30)31/h7-11,13-14,18-19,27H,4-6,12,15H2,1-3H3,(H,28,29)/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair