BDBM50209689 3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2'-methoxy-4-biphenylmethyl)-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea::CHEMBL392013

SMILES: COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1

InChI Key: InChIKey=AMKLSCYIZASEGV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50209689   

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 1 (Homo sapiens (Human))	BDBM50209689 (3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2'-methox...) Show SMILES COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1 Show InChI InChI=1S/C36H47N3O4/c1-27-10-12-30(13-11-27)24-38-21-18-29(19-22-38)20-23-39(35(41)37-36(3,4)26-43-28(2)40)25-31-14-16-32(17-15-31)33-8-6-7-9-34(33)42-5/h6-17,29H,18-26H2,1-5H3,(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells				Bioorg Med Chem 15: 3896-911 (2007) Article DOI: 10.1016/j.bmc.2007.02.049 BindingDB Entry DOI: 10.7270/Q2RJ4J6S
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50209689 (3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2'-methox...) Show SMILES COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1 Show InChI InChI=1S/C36H47N3O4/c1-27-10-12-30(13-11-27)24-38-21-18-29(19-22-38)20-23-39(35(41)37-36(3,4)26-43-28(2)40)25-31-14-16-32(17-15-31)33-8-6-7-9-34(33)42-5/h6-17,29H,18-26H2,1-5H3,(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	215	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells				Bioorg Med Chem 18: 7365-79 (2010) Article DOI: 10.1016/j.bmc.2010.09.014 BindingDB Entry DOI: 10.7270/Q2D50N72
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50209689 (3-[1-(acetyloxymethyl)-1-methylethyl]-1-(2'-methox...) Show SMILES COc1ccccc1-c1ccc(CN(CCC2CCN(Cc3ccc(C)cc3)CC2)C(=O)NC(C)(C)COC(C)=O)cc1 Show InChI InChI=1S/C36H47N3O4/c1-27-10-12-30(13-11-27)24-38-21-18-29(19-22-38)20-23-39(35(41)37-36(3,4)26-43-28(2)40)25-31-14-16-32(17-15-31)33-8-6-7-9-34(33)42-5/h6-17,29H,18-26H2,1-5H3,(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Navarra Curated by ChEMBL					Assay Description Displacement of [125I]Iodoproxyfan from histamine H3 receptor				Bioorg Med Chem 18: 7365-79 (2010) Article DOI: 10.1016/j.bmc.2010.09.014 BindingDB Entry DOI: 10.7270/Q2D50N72
					More data for this Ligand-Target Pair