BDBM50316698 CHEMBL1097314::N-[2-(7-{4-[8-(2-Cyclopropylcarbonylaminoethyl)-naphthalen-2-yloxy]butoxy}naphthalen-1-yl)ethyl]cyclopropylcarboxamide

SMILES: O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1

InChI Key: InChIKey=KKWICWHNAORVMJ-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 = 50316698   

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))	BDBM50316698 (CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...) Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1 Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50316698 (CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...) Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1 Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50316698 (CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...) Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1 Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	134	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))	BDBM50316698 (CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...) Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1 Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 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