Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50037245'   

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))	BDBM50037245 (CHEMBL288300 | Heptanoic acid [2-(7-methoxy-naphth...) Show SMILES CCCCCCC(=O)NCCc1cccc2ccc(OC)cc12 Show InChI InChI=1S/C20H27NO2/c1-3-4-5-6-10-20(22)21-14-13-17-9-7-8-16-11-12-18(23-2)15-19(16)17/h7-9,11-12,15H,3-6,10,13-14H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.				J Med Chem 41: 4453-65 (1998) Article DOI: 10.1021/jm980026p BindingDB Entry DOI: 10.7270/Q2B27WHJ
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