BDBM50381362 CHEMBL2016776

SMILES: Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O

InChI Key: InChIKey=BFJHXQVIPAUQOC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50381362   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50381362 (CHEMBL2016776) Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-18(32-24(36)16-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)33-26(31-17)34-13-10-19(11-14-34)35-12-2-3-25(35)37/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 3157-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.050 BindingDB Entry DOI: 10.7270/Q2D79CFJ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50381362 (CHEMBL2016776) Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-18(32-24(36)16-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)33-26(31-17)34-13-10-19(11-14-34)35-12-2-3-25(35)37/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay				Bioorg Med Chem Lett 22: 3157-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.050 BindingDB Entry DOI: 10.7270/Q2D79CFJ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50381362 (CHEMBL2016776) Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O Show InChI InChI=1S/C27H28F3N5O4/c1-17-22-15-18(32-24(36)16-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)33-26(31-17)34-13-10-19(11-14-34)35-12-2-3-25(35)37/h4-9,15,19H,2-3,10-14,16H2,1H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...				Bioorg Med Chem Lett 22: 3157-62 (2012) Article DOI: 10.1016/j.bmcl.2012.03.050 BindingDB Entry DOI: 10.7270/Q2D79CFJ
					More data for this Ligand-Target Pair