BDBM50153431 1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-propyl}-urea::CHEMBL183962

SMILES: CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12

InChI Key: InChIKey=JRWLPMZKOAKSJV-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 = 50153431   

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
Melatonin receptor (Homo sapiens (Human))	BDBM50153431 (1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-...) Show SMILES CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H30N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50153431 (1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-...) Show SMILES CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H30N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair