Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50464423'   

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))	BDBM50464423 (CHEMBL4288925) Show SMILES COc1ccc2ccc3CCC(CCNC(C)=O)c3c2c1 Show InChI InChI=1S/C18H21NO2/c1-12(20)19-10-9-15-6-5-14-4-3-13-7-8-16(21-2)11-17(13)18(14)15/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
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