BDBM50142201 CHEMBL7875::N-(4-Benzofuran-4-ylmethyl-phenyl)-butyramide

SMILES: CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1

InChI Key: InChIKey=VNIDFQVGSAYMJM-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 = 50142201   

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))	BDBM50142201 (CHEMBL7875 | N-(4-Benzofuran-4-ylmethyl-phenyl)-bu...) Show SMILES CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1 Show InChI InChI=1S/C19H19NO2/c1-2-4-19(21)20-16-9-7-14(8-10-16)13-15-5-3-6-18-17(15)11-12-22-18/h3,5-12H,2,4,13H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.780	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 Binding affinity towards human melatonin receptor type 1B				Bioorg Med Chem Lett 14: 1023-6 (2004) Article DOI: 10.1016/j.bmcl.2003.11.030 BindingDB Entry DOI: 10.7270/Q2HT2NSG
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50142201 (CHEMBL7875 | N-(4-Benzofuran-4-ylmethyl-phenyl)-bu...) Show SMILES CCCC(=O)Nc1ccc(Cc2cccc3occc23)cc1 Show InChI InChI=1S/C19H19NO2/c1-2-4-19(21)20-16-9-7-14(8-10-16)13-15-5-3-6-18-17(15)11-12-22-18/h3,5-12H,2,4,13H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	92	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 Binding affinity towards human melatonin receptor type 1A				Bioorg Med Chem Lett 14: 1023-6 (2004) Article DOI: 10.1016/j.bmcl.2003.11.030 BindingDB Entry DOI: 10.7270/Q2HT2NSG
					More data for this Ligand-Target Pair