Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50316700'   

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 1A (Homo sapiens (Human))	BDBM50316700 (CHEMBL1095832 | N-[2-(7-{4-[8-(2-Cyclopropanecarbo...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12 Show InChI InChI=1S/C34H38N2O4/c1-24(37)35-18-16-27-8-4-6-25-12-14-30(22-32(25)27)39-20-2-3-21-40-31-15-13-26-7-5-9-28(33(26)23-31)17-19-36-34(38)29-10-11-29/h4-9,12-15,22-23,29H,2-3,10-11,16-21H2,1H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 type 1A (Homo sapiens (Human))	BDBM50316700 (CHEMBL1095832 | N-[2-(7-{4-[8-(2-Cyclopropanecarbo...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12 Show InChI InChI=1S/C34H38N2O4/c1-24(37)35-18-16-27-8-4-6-25-12-14-30(22-32(25)27)39-20-2-3-21-40-31-15-13-26-7-5-9-28(33(26)23-31)17-19-36-34(38)29-10-11-29/h4-9,12-15,22-23,29H,2-3,10-11,16-21H2,1H3,(H,35,37)(H,36,38)	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	9.10	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