BDBM50214055 CHEMBL399244::N4,N4-dimethyl-N2-((1S,3S)-3-(thiophen-3-ylmethylamino)cyclohexyl)quinoline-2,4-diamine

SMILES: CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12

InChI Key: InChIKey=JWVGKXLIZNDKOY-ROUUACIJSA-N

Data: 2 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 2 hits for monomerid = 50214055   

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))	BDBM50214055 (CHEMBL399244 | N4,N4-dimethyl-N2-((1S,3S)-3-(thiop...) Show SMILES CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C22H28N4S/c1-26(2)21-13-22(25-20-9-4-3-8-19(20)21)24-18-7-5-6-17(12-18)23-14-16-10-11-27-15-16/h3-4,8-11,13,15,17-18,23H,5-7,12,14H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50214055 (CHEMBL399244 | N4,N4-dimethyl-N2-((1S,3S)-3-(thiop...) Show SMILES CN(C)c1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C22H28N4S/c1-26(2)21-13-22(25-20-9-4-3-8-19(20)21)24-18-7-5-6-17(12-18)23-14-16-10-11-27-15-16/h3-4,8-11,13,15,17-18,23H,5-7,12,14H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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