Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50212052'   

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))	BDBM50212052 (9-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carb...) Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C37H48N4O8/c1-24(42)38-18-16-28-30-22-26(46-3)12-14-32(30)40-34(28)36(44)48-20-10-8-6-5-7-9-11-21-49-37(45)35-29(17-19-39-25(2)43)31-23-27(47-4)13-15-33(31)41-35/h12-15,22-23,40-41H,5-11,16-21H2,1-4H3,(H,38,42)(H,39,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
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