Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribosyldihydronicotinamide dehydrogenase [quinone]' and Ligand = 'BDBM50118462'   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50118462 (2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-...) Show SMILES COc1ccc2CC(=C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1 |t:7| Show InChI InChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
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