Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50032624   

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
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
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))	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))	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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332203 (4-((2-Hydroxy-5-(phenyldiazenyl)phenyl)diazenyl)be...) Show SMILES NC(=N)c1ccc(cc1)N=Nc1cc(ccc1O)N=Nc1ccccc1 |w:18.19,9.9| Show InChI InChI=1S/C19H16N6O/c20-19(21)13-6-8-15(9-7-13)23-25-17-12-16(10-11-18(17)26)24-22-14-4-2-1-3-5-14/h1-12,26H,(H3,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+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))	BDBM50332192 (1-(2-(1H-Indol-3-yl)vinyl)isoquinoline | CHEMBL128...) Show SMILES C(=C/c1nccc2ccccc12)\c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H14N2/c1-2-6-16-14(5-1)11-12-20-19(16)10-9-15-13-21-18-8-4-3-7-17(15)18/h1-13,21H/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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))	BDBM50332200 (CHEMBL1288105 | N4-(6-((6-amino-2-methyl-4-quinoli...) Show SMILES Cc1cc(NCCCCCCNc2cc(C)nc3ccc(N)cc23)c2cc(N)ccc2n1 Show InChI InChI=1S/C26H32N6/c1-17-13-25(21-15-19(27)7-9-23(21)31-17)29-11-5-3-4-6-12-30-26-14-18(2)32-24-10-8-20(28)16-22(24)26/h7-10,13-16H,3-6,11-12,27-28H2,1-2H3,(H,29,31)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+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))	BDBM50332187 (6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinol...) Show SMILES CN1CC(=Cc2c1ccc(N)c2N=N)c1ccccc1 |c:3| Show InChI InChI=1S/C16H16N4/c1-20-10-12(11-5-3-2-4-6-11)9-13-15(20)8-7-14(17)16(13)19-18/h2-9,18H,10,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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))	BDBM50332198 (7,8-Dimethoxy-4-(3,4,5-trimethoxyphenyl)-1,2-dihyd...) Show SMILES COc1cc(cc(OC)c1OC)-c1cc2cc(OC)c(OC)cc2c2CNC(=O)c12 Show InChI InChI=1S/C23H23NO6/c1-26-17-7-12-6-15(13-8-19(28-3)22(30-5)20(9-13)29-4)21-16(11-24-23(21)25)14(12)10-18(17)27-2/h6-10H,11H2,1-5H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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))	BDBM50332195 (5-Methyl-1-phenyl-6H-pyrido[4,3-b]carbazole | CHEM...) Show SMILES Cc1c2[nH]c3ccccc3c2cc2c(nccc12)-c1ccccc1 Show InChI InChI=1S/C22H16N2/c1-14-16-11-12-23-22(15-7-3-2-4-8-15)18(16)13-19-17-9-5-6-10-20(17)24-21(14)19/h2-13,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+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 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))	BDBM50332193 (2,6-Dimethyl-3H-6lambda-pyrrolo[3,2-f]quinoline | ...) Show SMILES Cc1cc2c(ccc3[n+](C)cccc23)[nH]1 Show InChI InChI=1S/C13H12N2/c1-9-8-11-10-4-3-7-15(2)13(10)6-5-12(11)14-9/h3-8H,1-2H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+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 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))	BDBM50332199 (7,8-Dimethoxy-4-(3,4,5-trimethoxyphenyl)-2,3-dihyd...) Show SMILES COc1cc2cc(c3CNCc3c2cc1OC)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C23H25NO5/c1-25-19-7-13-6-15(14-8-21(27-3)23(29-5)22(9-14)28-4)17-11-24-12-18(17)16(13)10-20(19)26-2/h6-10,24H,11-12H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM39687 ((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...) Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19| Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332189 (14H-diindolo[2,3-a:3',2'-h]quinolizine | CHEMBL128...) Show SMILES c1ccc2c(c1)nc1c2ccn2ccc3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C21H13N3/c1-3-7-17-13(5-1)15-9-11-24-12-10-16-14-6-2-4-8-18(14)23-20(16)21(24)19(15)22-17/h1-12,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332180 (Bis(2-hydroxyphenyl)methanone phenylhydrazone | CH...) Show SMILES Oc1ccccc1C(N=Nc1ccccc1)c1ccccc1O |w:8.8| Show InChI InChI=1S/C19H16N2O2/c22-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)23)21-20-14-8-2-1-3-9-14/h1-13,19,22-23H	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	3.00E+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))	BDBM50332212 (1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-t...) Show SMILES Cc1nc(sc1C(=O)C=Cc1ccc(C)cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1 |w:8.8| Show InChI InChI=1S/C29H23N3OS/c1-20-13-15-22(16-14-20)17-18-27(33)28-21(2)30-29(34-28)32-26(24-11-7-4-8-12-24)19-25(31-32)23-9-5-3-6-10-23/h3-19H,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	3.20E+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))	BDBM23449 (1,3-Dihydroxynaphthalene | Naphthalene-1,3-diol | ...) Show SMILES Oc1cc(O)c2ccccc2c1 Show InChI InChI=1S/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+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))	BDBM50332214 (2-((Diethylamino)methyl)-4-((10-methyl-10H-indolo[...) Show SMILES CCN(CC)Cc1cc(Nc2c3n(C)c4ccccc4c3nc3ccccc23)ccc1O Show InChI InChI=1S/C27H28N4O/c1-4-31(5-2)17-18-16-19(14-15-24(18)32)28-25-20-10-6-8-12-22(20)29-26-21-11-7-9-13-23(21)30(3)27(25)26/h6-16,32H,4-5,17H2,1-3H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332207 (1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-t...) Show SMILES CC(C=CC(=O)c1sc(nc1C)-n1nc(cc1-c1ccccc1)-c1ccccc1)=Cc1ccccc1 |w:3.3,29.33| Show InChI InChI=1S/C31H25N3OS/c1-22(20-24-12-6-3-7-13-24)18-19-29(35)30-23(2)32-31(36-30)34-28(26-16-10-5-11-17-26)21-27(33-34)25-14-8-4-9-15-25/h3-21H,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	3.80E+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))	BDBM50332180 (Bis(2-hydroxyphenyl)methanone phenylhydrazone | CH...) Show SMILES Oc1ccccc1C(N=Nc1ccccc1)c1ccccc1O |w:8.8| Show InChI InChI=1S/C19H16N2O2/c22-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)23)21-20-14-8-2-1-3-9-14/h1-13,19,22-23H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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))	BDBM50332213 (3-(3,4-Dichlorophenyl)-1-(2-(3,5-diphenyl-1H-pyraz...) Show SMILES Cc1nc(sc1C(=O)C=Cc1ccc(Cl)c(Cl)c1)-n1nc(cc1-c1ccccc1)-c1ccccc1 |w:9.10| Show InChI InChI=1S/C28H19Cl2N3OS/c1-18-27(26(34)15-13-19-12-14-22(29)23(30)16-19)35-28(31-18)33-25(21-10-6-3-7-11-21)17-24(32-33)20-8-4-2-5-9-20/h2-17H,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	4.90E+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))	BDBM50332201 (3-Amino-9-ethyl-2-((4-(hydroxy(oxido)amino)phenyl)...) Show SMILES CCn1c2ccccc2c2cc(N)c(cc12)\N=N\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H17N5O2/c1-2-24-19-6-4-3-5-15(19)16-11-17(21)18(12-20(16)24)23-22-13-7-9-14(10-8-13)25(26)27/h3-12H,2,21H2,1H3/b23-22+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+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))	BDBM50332191 (CHEMBL1287980 | N,N-dimethyl-4-(1-methyl-6-nitro-2...) Show SMILES CN(C)c1ccc(\C=c2/c3cc(ccc3n3[n+](C)c(cc23)-c2ccccc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C26H23N4O2/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30(31)32)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19/h4-17H,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	5.00E+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))	BDBM50332197 (3-Benzo[a]anthracen-12-ylthiophene | CHEMBL1288012...) Show SMILES c1cc(cs1)-c1c2ccccc2cc2ccc3ccccc3c12 Show InChI InChI=1S/C22H14S/c1-3-7-19-15(5-1)9-10-17-13-16-6-2-4-8-20(16)22(21(17)19)18-11-12-23-14-18/h1-14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+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 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))	BDBM50332211 (3-(4-Chlorophenyl)-1-(2-(3,5-diphenyl-1H-pyrazol-1...) Show SMILES Cc1nc(sc1C(=O)C=Cc1ccc(Cl)cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1 |w:8.8| Show InChI InChI=1S/C28H20ClN3OS/c1-19-27(26(33)17-14-20-12-15-23(29)16-13-20)34-28(30-19)32-25(22-10-6-3-7-11-22)18-24(31-32)21-8-4-2-5-9-21/h2-18H,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	5.30E+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))	BDBM50332194 (4,7-Dimethyl-7H-4lamda-pyrido[2,3-c]carbazole | CH...) Show SMILES Cn1c2ccccc2c2c1ccc1[n+](C)cccc21 Show InChI InChI=1S/C17H15N2/c1-18-11-5-7-12-14(18)9-10-16-17(12)13-6-3-4-8-15(13)19(16)2/h3-11H,1-2H3/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	5.50E+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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332209 (1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-t...) Show SMILES Cc1nc(sc1C(=O)C=Cc1ccccc1)-n1nc(cc1-c1ccccc1)-c1ccccc1 |w:8.8| Show InChI InChI=1S/C28H21N3OS/c1-20-27(26(32)18-17-21-11-5-2-6-12-21)33-28(29-20)31-25(23-15-9-4-10-16-23)19-24(30-31)22-13-7-3-8-14-22/h2-19H,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	5.80E+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))	BDBM50332205 (4-((4-(Amino(imino)methyl)phenyl)diazenyl)-3-hydro...) Show SMILES NC(=N)c1ccc(cc1)N=Nc1c(O)c(cc2ccccc12)C(=O)Nc1ccccc1 |w:10.11| Show InChI InChI=1S/C24H19N5O2/c25-23(26)15-10-12-18(13-11-15)28-29-21-19-9-5-4-6-16(19)14-20(22(21)30)24(31)27-17-7-2-1-3-8-17/h1-14,30H,(H3,25,26)(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+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))	BDBM50332208 (1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-t...) Show SMILES Cc1nc(sc1C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)-n1nc(cc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H22N4O3S/c1-19-27(26(33)17-14-20-12-15-23(16-13-20)32(34)35)36-28(29-19)31-25(22-10-6-3-7-11-22)18-24(30-31)21-8-4-2-5-9-21/h2-18,34-35H,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	6.00E+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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+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))	BDBM50332202 (1-Methyl-4(1H)-quinolinone(1-methyl-4(1H)-quinolin...) Show SMILES Cn1cc\c(=N/N=c2\ccn(C)c3ccccc23)c2ccccc12 Show InChI InChI=1S/C20H18N4/c1-23-13-11-17(15-7-3-5-9-19(15)23)21-22-18-12-14-24(2)20-10-6-4-8-16(18)20/h3-14H,1-2H3/b21-17+,22-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+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))	BDBM50332210 (1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-t...) Show SMILES Cc1nc(sc1C(=O)C=Cc1cccc(c1)[N+]([O-])=O)-n1nc(cc1-c1ccccc1)-c1ccccc1 |w:8.8| Show InChI InChI=1S/C28H20N4O3S/c1-19-27(26(33)16-15-20-9-8-14-23(17-20)32(34)35)36-28(29-19)31-25(22-12-6-3-7-13-22)18-24(30-31)21-10-4-2-5-11-21/h2-18H,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	6.50E+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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50149893 (4-(6-Methoxy-quinolin-8-ylamino)-pentyl-ammonium |...) Show SMILES COc1cc(NC(C)CCC[NH3+])c2ncccc2c1 Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50332186 (1-(2-(4-(Hydroxy(oxido)amino)phenyl)vinyl)-3-pheny...) Show SMILES [O-][N+](=O)c1ccc(\C=C\c2cc(nc3ccc4ccccc4c23)-c2ccccc2)cc1 Show InChI InChI=1S/C27H18N2O2/c30-29(31)23-15-11-19(12-16-23)10-13-22-18-26(21-7-2-1-3-8-21)28-25-17-14-20-6-4-5-9-24(20)27(22)25/h1-18H/b13-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+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))	BDBM50332188 (CHEMBL1287950 | N-(3-([1,1'-Biphenyl]-4-ylimino)-1...) Show SMILES C(C=Nc1ccc(cc1)-c1ccccc1)C=Nc1ccc(cc1)-c1ccccc1 |w:2.2,15.16| Show InChI InChI=1S/C27H22N2/c1-3-8-22(9-4-1)24-12-16-26(17-13-24)28-20-7-21-29-27-18-14-25(15-19-27)23-10-5-2-6-11-23/h1-6,8-21H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332178 (CHEMBL1288340 | NSC-65069 | [1,10-Biphenyl]-2,3',4...) Show SMILES Oc1cc(O)cc(c1)-c1c(O)cc(O)cc1O Show InChI InChI=1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	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))	BDBM50332182 (4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1 Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+	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	1.50E+4	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))	BDBM50332181 (2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acry...) Show SMILES COc1ccc(cc1)C(=C/c1cc(OC)c(OC)c(OC)c1)\C#N Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-14(6-8-16)15(12-20)9-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-11H,1-4H3/b15-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	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))	BDBM50332206 (3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimetho...) Show SMILES COc1ccc(cc1OC)C(\Cl)=C(\C=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H21ClO6/c1-23-15-7-6-12(8-16(15)24-2)19(21)14(11-22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11H,1-5H3/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332181 (2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acry...) Show SMILES COc1ccc(cc1)C(=C/c1cc(OC)c(OC)c(OC)c1)\C#N Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-14(6-8-16)15(12-20)9-13-10-17(22-2)19(24-4)18(11-13)23-3/h5-11H,1-4H3/b15-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332185 (5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-b...) Show SMILES COc1cc(\C=C(/C)c2ccc3OCOc3c2)cc(OC)c1OC Show InChI InChI=1S/C19H20O5/c1-12(14-5-6-15-16(10-14)24-11-23-15)7-13-8-17(20-2)19(22-4)18(9-13)21-3/h5-10H,11H2,1-4H3/b12-7+	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	5.50E+4	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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332184 (1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yla...) Show SMILES COc1cc2cc(OC(C)=O)c3cc4OCOc4cc3c2c(OC)c1OC Show InChI InChI=1S/C20H18O7/c1-10(21)27-14-5-11-6-17(22-2)19(23-3)20(24-4)18(11)13-8-16-15(7-12(13)14)25-9-26-16/h5-8H,9H2,1-4H3	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	7.00E+4	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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50332182 (4,3',5'-tri-O-methylpiceatannol | 5-(2-(3,5-Dimeth...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1 Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+4	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