Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50378564'   

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))	BDBM50378564 (CHEMBL145781) Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1 Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	445	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell lysates after 1 hr by gamma counting analysis				J Nat Prod 80: 3324-3329 (2017) Article DOI: 10.1021/acs.jnatprod.7b00853 BindingDB Entry DOI: 10.7270/Q2NK3HJW
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