Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50097116'   

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))	BDBM50097116 (CHEMBL3580921) Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=S)o3)c2c1 Show InChI InChI=1S/C13H13N3O2S/c1-17-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(19)18-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
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