BDBM50316703 CHEMBL1094545::N-[2-(7-{4-[4'-Methoxycarbonylbiphenyl-4-yloxy]-butoxy}naphthalen-1-yl)ethyl]acetamide

SMILES: COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1

InChI Key: InChIKey=POTVIPHGYAOPMA-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50316703   

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))	BDBM50316703 (CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1 Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50316703 (CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1 Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50316703 (CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1 Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50316703 (CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1 Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair