Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50316699'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316699 (CHEMBL1097315 | N-[2-(7-{4-[8-(2-Vinylacetylaminoe...) Show SMILES C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12 Show InChI InChI=1S/C36H40N2O4/c1-3-9-35(39)37-21-19-29-13-7-11-27-15-17-31(25-33(27)29)41-23-5-6-24-42-32-18-16-28-12-8-14-30(34(28)26-32)20-22-38-36(40)10-4-2/h3-4,7-8,11-18,25-26H,1-2,5-6,9-10,19-24H2,(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	11	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 type 1B (Homo sapiens (Human))	BDBM50316699 (CHEMBL1097315 | N-[2-(7-{4-[8-(2-Vinylacetylaminoe...) Show SMILES C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12 Show InChI InChI=1S/C36H40N2O4/c1-3-9-35(39)37-21-19-29-13-7-11-27-15-17-31(25-33(27)29)41-23-5-6-24-42-32-18-16-28-12-8-14-30(34(28)26-32)20-22-38-36(40)10-4-2/h3-4,7-8,11-18,25-26H,1-2,5-6,9-10,19-24H2,(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	40	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