Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'humphries' and Initial = 'mp'   

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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008356 (5-(2-(diethylamino)ethylamino)-8-methoxy-1-methyl-...) Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(OC)ccc31 Show InChI InChI=1S/C22H26N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18/h7-10,13,23H,5-6,11-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008344 (5-(2-(diethylamino)ethylamino)-8-hydroxy-1-methyl-...) Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317138 (5-(2-(diethylamino)ethylamino)-7,10-dimethoxy-6H-i...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(OC)ccc(OC)c31 Show InChI InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317139 (5-(2-(diethylamino)ethylamino)-7-hydroxy-10-methox...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)ccc(OC)c31 Show InChI InChI=1S/C21H24N4O3/c1-4-24(5-2)11-10-22-13-6-7-14-19-17(13)21(27)18-15(26)8-9-16(28-3)20(18)25(19)12-23-14/h6-9,12,22,26H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008352 (5-(2-(dimethylamino)ethylamino)-8-hydroxy-1-methyl...) Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C19H20N4O2/c1-11-21-15-6-5-14(20-8-9-22(2)3)17-18(15)23(11)16-7-4-12(24)10-13(16)19(17)25/h4-7,10,20,24H,8-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309775 (5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...) Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C18H18N4O/c1-11(2)9-10-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)21-20-14/h3-8,11,19H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309777 (5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...) Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C17H17N5O2/c1-22(2,24)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)21(16)20-19-13/h3-8,18H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309779 (5-(4-methoxyphenylamino)-6H-[1,2,3]triazolo[4,5,1-...) Show SMILES COc1ccc(Nc2ccc3nnn4c3c2c(=O)c2ccccc42)cc1 Show InChI InChI=1S/C20H14N4O2/c1-26-13-8-6-12(7-9-13)21-15-10-11-16-19-18(15)20(25)14-4-2-3-5-17(14)24(19)23-22-16/h2-11,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309780 (5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c13 Show InChI InChI=1S/C18H19N5O3/c1-23(2,25)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(26-3)4-7-15(12)22(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317137 (5-(2-(diethylamino)ethylamino)-10-methoxy-6H-imida...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cccc(OC)c31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)12-11-22-15-9-10-16-20-18(15)21(26)14-7-6-8-17(27-3)19(14)25(20)13-23-16/h6-10,13,22H,4-5,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	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
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309771 (8-bromo-5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,...) Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C18H17BrN4O/c1-10(2)7-8-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)23(17)22-21-14/h3-6,9-10,20H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309766 (5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c13 Show InChI InChI=1S/C18H19N5O2/c1-22(2)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(25-3)4-7-15(12)23(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309778 (5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...) Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C17H16BrN5O2/c1-23(2,25)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)22(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309774 (5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C16H13BrN4O2/c17-9-2-5-13-10(8-9)16(23)14-11(18-6-1-7-22)3-4-12-15(14)21(13)20-19-12/h2-5,8,18,22H,1,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008347 (5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	148	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309777 (5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...) Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C17H17N5O2/c1-22(2,24)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)21(16)20-19-13/h3-8,18H,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317136 (5-(3-(dimethylamino)propylamino)-6H-imidazo[4,5,1-...) Show SMILES CN(C)CCCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C19H20N4O/c1-22(2)11-5-10-20-14-8-9-15-18-17(14)19(24)13-6-3-4-7-16(13)23(18)12-21-15/h3-4,6-9,12,20H,5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	172	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
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309768 (5-(2-(dimethylamino)ethylamino)-8-fluoro-6H-[1,2,3...) Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(F)ccc31 Show InChI InChI=1S/C17H16FN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309776 (5-(3-hydroxypropylamino)-6H-[1,2,3]triazolo[4,5,1-...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C16H14N4O2/c21-9-3-8-17-11-6-7-12-15-14(11)16(22)10-4-1-2-5-13(10)20(15)19-18-12/h1-2,4-7,17,21H,3,8-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309773 (5-(3-hydroxypropylamino)-8-methoxy-6H-[1,2,3]triaz...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCCO)ccc3nnn2c13 Show InChI InChI=1S/C17H16N4O3/c1-24-10-3-6-14-11(9-10)17(23)15-12(18-7-2-8-22)4-5-13-16(15)21(14)20-19-13/h3-6,9,18,22H,2,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM83846 (5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-imida...) Show SMILES Cl.CN(C)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C18H18N4O2.ClH/c1-21(2)8-7-19-13-4-5-14-17-16(13)18(24)12-9-11(23)3-6-15(12)22(17)10-20-14;/h3-6,9-10,19,23H,7-8H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	296	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317134 (5-(2-(dimethylamino)ethylamino)-1-methyl-6H-imidaz...) Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C19H20N4O/c1-12-21-15-9-8-14(20-10-11-22(2)3)17-18(15)23(12)16-7-5-4-6-13(16)19(17)24/h4-9,20H,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	323	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
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309780 (5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c13 Show InChI InChI=1S/C18H19N5O3/c1-23(2,25)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(26-3)4-7-15(12)22(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309772 (8-methoxy-5-(phenethylamino)-6H-[1,2,3]triazolo[4,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c13 Show InChI InChI=1S/C22H18N4O2/c1-28-15-7-10-19-16(13-15)22(27)20-17(8-9-18-21(20)26(19)25-24-18)23-12-11-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332183 (2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-...) Show SMILES Fc1ccccc1C1CC(=Nc2ccccc2S1)c1ccc2ccccc2c1 |c:10| Show InChI InChI=1S/C25H18FNS/c26-21-10-4-3-9-20(21)25-16-23(27-22-11-5-6-12-24(22)28-25)19-14-13-17-7-1-2-8-18(17)15-19/h1-15,25H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309775 (5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...) Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C18H18N4O/c1-11(2)9-10-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)21-20-14/h3-8,11,19H,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317132 (5-(2-(diethylamino)ethylamino)-6H-imidazo[4,5,1-de...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C20H22N4O/c1-3-23(4-2)12-11-21-15-9-10-16-19-18(15)20(25)14-7-5-6-8-17(14)24(19)13-22-16/h5-10,13,21H,3-4,11-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	427	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	450	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309776 (5-(3-hydroxypropylamino)-6H-[1,2,3]triazolo[4,5,1-...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C16H14N4O2/c21-9-3-8-17-11-6-7-12-15-14(11)16(22)10-4-1-2-5-13(10)20(15)19-18-12/h1-2,4-7,17,21H,3,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	483	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309778 (5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...) Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C17H16BrN5O2/c1-23(2,25)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)22(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	507	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309773 (5-(3-hydroxypropylamino)-8-methoxy-6H-[1,2,3]triaz...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCCO)ccc3nnn2c13 Show InChI InChI=1S/C17H16N4O3/c1-24-10-3-6-14-11(9-10)17(23)15-12(18-7-2-8-22)4-5-13-16(15)21(14)20-19-13/h3-6,9,18,22H,2,7-8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309770 (5-(phenethylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...) Show SMILES O=c1c2ccccc2n2nnc3ccc(NCCc4ccccc4)c1c23 Show InChI InChI=1S/C21H16N4O/c26-21-15-8-4-5-9-18(15)25-20-17(23-24-25)11-10-16(19(20)21)22-13-12-14-6-2-1-3-7-14/h1-11,22H,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	567	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM97032 (MLS002701681 | NSC-637994 | SMR001565279 | cid_367...) Show SMILES Cl.CCN(CC)CCCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C21H24N4O2.ClH/c1-3-24(4-2)11-5-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13-23-17;/h6-9,12-13,22,26H,3-5,10-11H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	597	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317135 (5-(2-(dimethylamino)ethylamino)-1-ethyl-6H-imidazo...) Show SMILES CCc1nc2ccc(NCCN(C)C)c3c2n1c1ccccc1c3=O Show InChI InChI=1S/C20H22N4O/c1-4-17-22-15-10-9-14(21-11-12-23(2)3)18-19(15)24(17)16-8-6-5-7-13(16)20(18)25/h5-10,21H,4,11-12H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	693	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309771 (8-bromo-5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,...) Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C18H17BrN4O/c1-10(2)7-8-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)23(17)22-21-14/h3-6,9-10,20H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309767 (5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...) Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C17H16BrN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309768 (5-(2-(dimethylamino)ethylamino)-8-fluoro-6H-[1,2,3...) Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(F)ccc31 Show InChI InChI=1S/C17H16FN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	783	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50309779 (5-(4-methoxyphenylamino)-6H-[1,2,3]triazolo[4,5,1-...) Show SMILES COc1ccc(Nc2ccc3nnn4c3c2c(=O)c2ccccc42)cc1 Show InChI InChI=1S/C20H14N4O2/c1-26-13-8-6-12(7-9-13)21-15-10-11-16-19-18(15)20(25)14-4-2-3-5-17(14)24(19)23-22-16/h2-11,21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	808	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317133 (5-(2-(dimethylamino)ethylamino)-6H-imidazo[4,5,1-d...) Show SMILES CN(C)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31 Show InChI InChI=1S/C18H18N4O/c1-21(2)10-9-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)11-20-14/h3-8,11,19H,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317131 (5-(2-(diethylamino)ethylamino)-9-hydroxy-6H-imidaz...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1ccc(O)cc31 Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-7-8-16-19-18(15)20(26)14-6-5-13(25)11-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	953	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
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309774 (5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...) Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C16H13BrN4O2/c17-9-2-5-13-10(8-9)16(23)14-11(18-6-1-7-22)3-4-12-15(14)21(13)20-19-12/h2-5,8,18,22H,1,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	987	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008351 (5-(2-(diethylamino)ethylamino)-8-methoxy-6H-imidaz...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(OC)ccc31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(26)15-12-14(27-3)6-9-18(15)25(20)13-23-17/h6-9,12-13,22H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	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
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332179 (2-Benzo[a]anthracen-12-yl-1-benzothiophene | CHEMB...) Show SMILES c1c(sc2ccccc12)-c1c2ccccc2cc2ccc3ccccc3c12 Show InChI InChI=1S/C26H16S/c1-4-10-21-17(7-1)13-14-20-15-18-8-2-5-11-22(18)26(25(20)21)24-16-19-9-3-6-12-23(19)27-24/h1-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309766 (5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c13 Show InChI InChI=1S/C18H19N5O2/c1-22(2)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(25-3)4-7-15(12)23(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332204 (4-((2-Hydroxy-5-(2-phenylvinyl)phenyl)diazenyl)ben...) Show SMILES NC(=N)c1ccc(cc1)N=Nc1cc(C=Cc2ccccc2)ccc1O |w:14.14,9.9| Show InChI InChI=1S/C21H18N4O/c22-21(23)17-9-11-18(12-10-17)24-25-19-14-16(8-13-20(19)26)7-6-15-4-2-1-3-5-15/h1-14,26H,(H3,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2				Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50309767 (5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...) Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31 Show InChI InChI=1S/C17H16BrN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 by spectrophotometry				Bioorg Med Chem 18: 696-706 (2010) Article DOI: 10.1016/j.bmc.2009.11.059 BindingDB Entry DOI: 10.7270/Q2CC10TZ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2				Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332190 (CHEMBL1287983 | N,N-dimethyl-4-((1-methyl-2-phenyl...) Show SMILES CN(C)c1ccc(\C=c2\c3cc(-c4ccccc4)[n+](C)n3c3ccccc23)cc1 Show InChI InChI=1S/C26H24N3/c1-27(2)21-15-13-19(14-16-21)17-23-22-11-7-8-12-24(22)29-26(23)18-25(28(29)3)20-9-5-4-6-10-20/h4-18H,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2				Bioorg Med Chem Lett 20: 7331-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.070 BindingDB Entry DOI: 10.7270/Q2M32W16
					More data for this Ligand-Target Pair

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