Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50316706'   

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))	BDBM50316706 (CHEMBL1097497 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCc1csc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H34N2O4S/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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))	BDBM50316706 (CHEMBL1097497 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCc1csc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H34N2O4S/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)	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	1.90	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