Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50117923'   

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))	BDBM50117923 (CHEMBL3612602) Show SMILES O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CCC1 Show InChI InChI=1S/C22H26N2O/c25-22(19-10-6-11-19)23-15-20-14-13-18-9-4-5-12-21(18)24(20)16-17-7-2-1-3-8-17/h1-5,7-9,12,19-20H,6,10-11,13-16H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	633	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
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