Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50188402'   

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 1B (Homo sapiens (Human))	BDBM50188402 (CHEMBL379616 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C16H22N2O2/c1-5-16(19)17-9-11(2)14-10-18(3)15-7-6-12(20-4)8-13(14)15/h6-8,10-11H,5,9H2,1-4H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
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