BDBM50260398 CHEMBL494566::N-(2-(5-Methoxycarbonyl-benzo[b]furan-3-yl)ethyl)-cyclopentylcarboxamide::methyl 3-(2-(cyclopentanecarboxamido)ethyl)benzofuran-5-carboxylate

SMILES: COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1

InChI Key: InChIKey=CUUQICZMRYXTLF-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 = 50260398   

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))	BDBM50260398 (CHEMBL494566 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50260398 (CHEMBL494566 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50260398 (CHEMBL494566 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair