Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribosyldihydronicotinamide dehydrogenase [quinone]' and Ligand = 'BDBM50317140'   

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))	BDBM50317140 (5-(2-(diethylamino)ethylamino)-7-hydroxy-8,9-dimet...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)c(OC)c(OC)cc31 Show InChI InChI=1S/C22H26N4O4/c1-5-25(6-2)10-9-23-13-7-8-14-19-17(13)20(27)18-15(26(19)12-24-14)11-16(29-3)22(30-4)21(18)28/h7-8,11-12,23,28H,5-6,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
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