Compile Data Set for Download or QSAR

Found 88 hits of ec50 for UniProtKB: P15559   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM381924 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@@H](N3Cc4cnccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-16-33-14-13-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)/t25-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381876 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(c1ccc2CCC(N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O Show InChI InChI=1S/C33H38N4O3/c1-20-24(14-16-27-30(20)34-35-36(27)6)29(33(4,5)31(38)39)22-12-11-21-13-15-26(25(21)17-22)37-18-23-9-7-8-10-28(23)40-32(2,3)19-37/h7-12,14,16-17,26,29H,13,15,18-19H2,1-6H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381902 (US10272095, Example 67 | rac-(R)-3-(1,4-Dimethyl-1...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@@H](N3Cc4ncccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-22(12-14-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-10-9-20-11-13-25(23(20)16-21)37-17-24-27(8-7-15-33-24)40-31(2,3)18-37/h7-10,12,14-16,25,28H,11,13,17-18H2,1-6H3,(H,38,39)/t25-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381880 (3-(3-(7-Cyano-2,2-dimethyl-2,3-dihydrobenzo[f][1,4...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4cc(ccc4OC(C)(C)C3)C#N)c2c1 Show InChI InChI=1S/C32H33N5O3/c1-19-24(9-11-28-31(19)34-35-36(28)4)25(15-30(38)39)22-7-6-21-8-10-27(26(21)14-22)37-17-23-13-20(16-33)5-12-29(23)40-32(2,3)18-37/h5-7,9,11-14,25,27H,8,10,15,17-18H2,1-4H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381907 (US10272095, Example 69 | rac-(R)-3-(1,4--1H- benzo...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@H](N3Cc4ccncc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-13-14-33-16-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)/t25-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381884 (3-(3-(2,2-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepi...) Show SMILES COc1cc(C(CC(O)=O)c2ccc3CCC(N4Cc5ccccc5OC(C)(C)C4)c3c2)c(C)c2nnn(C)c12 Show InChI InChI=1S/C32H36N4O4/c1-19-23(15-28(39-5)31-30(19)33-34-35(31)4)24(16-29(37)38)21-11-10-20-12-13-26(25(20)14-21)36-17-22-8-6-7-9-27(22)40-32(2,3)18-36/h6-11,14-15,24,26H,12-13,16-18H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381915 (US10272095, Example 77 | rel-(S)-3-(1,4-Dimethyl-1...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@@H](N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C33H38N4O3/c1-20-24(14-16-27-30(20)34-35-36(27)6)29(33(4,5)31(38)39)22-12-11-21-13-15-26(25(21)17-22)37-18-23-9-7-8-10-28(23)40-32(2,3)19-37/h7-12,14,16-17,26,29H,13,15,18-19H2,1-6H3,(H,38,39)/t26-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381860 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES COc1ccc2OC(C)(C)CN(Cc2c1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C Show InChI InChI=1S/C32H36N4O4/c1-19-24(10-12-28-31(19)33-34-35(28)4)25(16-30(37)38)21-7-6-20-8-11-27(26(20)15-21)36-17-22-14-23(39-5)9-13-29(22)40-32(2,3)18-36/h6-7,9-10,12-15,25,27H,8,11,16-18H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381861 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4ccccc4OC(C)(C)C3)c2c1 Show InChI InChI=1S/C31H34N4O3/c1-19-23(12-14-27-30(19)32-33-34(27)4)24(16-29(36)37)21-10-9-20-11-13-26(25(20)15-21)35-17-22-7-5-6-8-28(22)38-31(2,3)18-35/h5-10,12,14-15,24,26H,11,13,16-18H2,1-4H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381856 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1ccc2OC(C)(C)CN(Cc2c1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C Show InChI InChI=1S/C32H36N4O3/c1-19-6-13-29-23(14-19)17-36(18-32(3,4)39-29)27-11-9-21-7-8-22(15-26(21)27)25(16-30(37)38)24-10-12-28-31(20(24)2)33-34-35(28)5/h6-8,10,12-15,25,27H,9,11,16-18H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381865 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@@H](CC(O)=O)c1ccc2CC[C@@H](N3Cc4ccccc4OC(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C31H34N4O3/c1-19-23(12-14-27-30(19)32-33-34(27)4)24(16-29(36)37)21-10-9-20-11-13-26(25(20)15-21)35-17-22-7-5-6-8-28(22)38-31(2,3)18-35/h5-10,12,14-15,24,26H,11,13,16-18H2,1-4H3,(H,36,37)/t24-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381868 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4ccc(F)cc4OC(C)(C)C3)c2c1 Show InChI InChI=1S/C31H33FN4O3/c1-18-23(10-12-27-30(18)33-34-35(27)4)24(15-29(37)38)20-6-5-19-8-11-26(25(19)13-20)36-16-21-7-9-22(32)14-28(21)39-31(2,3)17-36/h5-7,9-10,12-14,24,26H,8,11,15-17H2,1-4H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381869 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,...) Show SMILES C[C@@H]1CN(Cc2cccnc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C31H35N5O3/c1-18-16-36(17-22-7-6-14-32-29(22)39-18)25-12-10-20-8-9-21(15-24(20)25)27(31(3,4)30(37)38)23-11-13-26-28(19(23)2)33-34-35(26)5/h6-9,11,13-15,18,25,27H,10,12,16-17H2,1-5H3,(H,37,38)/t18-,25?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381873 (3-(3-(2,2-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepi...) Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc2CCC(N3Cc4ccccc4OC(C)(C)C3)c2c1 Show InChI InChI=1S/C31H34N4O4/c1-31(2)18-35(17-21-7-5-6-8-27(21)39-31)26-12-11-19-9-10-20(13-24(19)26)23(16-29(36)37)22-14-25-30(28(15-22)38-4)34(3)33-32-25/h5-10,13-15,23,26H,11-12,16-18H2,1-4H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381877 (3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,2-f][1,4]ox...) Show SMILES COc1cc(C(CC(O)=O)c2ccc3CCC(N4Cc5cccnc5OC(C)(C)C4)c3c2)c(C)c2nnn(C)c12 Show InChI InChI=1S/C31H35N5O4/c1-18-22(14-26(39-5)29-28(18)33-34-35(29)4)23(15-27(37)38)20-9-8-19-10-11-25(24(19)13-20)36-16-21-7-6-12-32-30(21)40-31(2,3)17-36/h6-9,12-14,23,25H,10-11,15-17H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381857 (3-(3-((R)-2,7-Dimethyl-2,3-dihydrobenzo[f][1,4]oxa...) Show SMILES COc1cc(C(CC(O)=O)c2ccc3CCC(N4C[C@@H](C)Oc5ccc(C)cc5C4)c3c2)c(C)c2nnn(C)c12 |r| Show InChI InChI=1S/C32H36N4O4/c1-18-6-11-28-23(12-18)17-36(16-19(2)40-28)27-10-9-21-7-8-22(13-26(21)27)25(15-30(37)38)24-14-29(39-5)32-31(20(24)3)33-34-35(32)4/h6-8,11-14,19,25,27H,9-10,15-17H2,1-5H3,(H,37,38)/t19-,25?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381856 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1ccc2OC(C)(C)CN(Cc2c1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C Show InChI InChI=1S/C32H36N4O3/c1-19-6-13-29-23(14-19)17-36(18-32(3,4)39-29)27-11-9-21-7-8-22(15-26(21)27)25(16-30(37)38)24-10-12-28-31(20(24)2)33-34-35(28)5/h6-8,10,12-15,25,27H,9,11,16-18H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381855 (3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-{2-o...) Show SMILES CCCC1CCC(CN2C3C(CC2=O)Cc2ccc(cc32)C(CC(O)=O)c2ccc3n(C)nnc3c2C)CC1 |(-8.76,-3.7,;-7.22,-3.7,;-6.45,-2.36,;-4.91,-2.36,;-4.14,-1.03,;-2.6,-1.03,;-1.83,-2.36,;-.29,-2.36,;.74,-3.51,;2.28,-3.35,;2.9,-4.75,;1.76,-5.78,;.42,-5.01,;-.98,-5.64,;4.43,-4.59,;4.75,-3.09,;6.09,-2.32,;6.09,-.78,;4.75,-.01,;3.42,-.78,;3.42,-2.32,;4.75,1.53,;6.09,2.3,;7.42,1.53,;7.42,-.01,;8.76,2.3,;3.42,2.3,;3.42,3.84,;2.09,4.61,;.75,3.84,;-.71,4.32,;-1.19,5.78,;-1.62,3.07,;-.71,1.83,;.75,2.3,;2.09,1.53,;2.09,-.01,;-2.6,-3.7,;-4.14,-3.7,)| Show InChI InChI=1S/C32H40N4O3/c1-4-5-20-6-8-21(9-7-20)18-36-29(37)16-24-14-22-10-11-23(15-27(22)32(24)36)26(17-30(38)39)25-12-13-28-31(19(25)2)33-34-35(28)3/h10-13,15,20-21,24,26,32H,4-9,14,16-18H2,1-3H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381853 (3-(3-(2,3-Dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2...) Show SMILES Cc1c(ccc2n(C)nnc12)C(c1ccc2CCC(N3CCOc4ccccc4C3)c2c1)C(C)(C)C(O)=O Show InChI InChI=1S/C31H34N4O3/c1-19-23(12-14-26-29(19)32-33-34(26)4)28(31(2,3)30(36)37)21-10-9-20-11-13-25(24(20)17-21)35-15-16-38-27-8-6-5-7-22(27)18-35/h5-10,12,14,17,25,28H,11,13,15-16,18H2,1-4H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381852 (3-(3-(7-Chloro-2,2-dimethyl-2,3-dihydrobenzo[f][1,...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4cc(Cl)ccc4OC(C)(C)C3)c2c1 Show InChI InChI=1S/C31H33ClN4O3/c1-18-23(9-11-27-30(18)33-34-35(27)4)24(15-29(37)38)20-6-5-19-7-10-26(25(19)14-20)36-16-21-13-22(32)8-12-28(21)39-31(2,3)17-36/h5-6,8-9,11-14,24,26H,7,10,15-17H2,1-4H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381849 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26?,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381845 (3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,4-f][1,4]ox...) Show SMILES COc1cc(C(CC(O)=O)c2ccc3CCC(N4Cc5cnccc5OC(C)(C)C4)c3c2)c(C)c2nnn(C)c12 Show InChI InChI=1S/C31H35N5O4/c1-18-22(13-27(39-5)30-29(18)33-34-35(30)4)23(14-28(37)38)20-7-6-19-8-9-25(24(19)12-20)36-16-21-15-32-11-10-26(21)40-31(2,3)17-36/h6-7,10-13,15,23,25H,8-9,14,16-17H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381841 (3-(3-(8-Cyano-2,2-dimethyl-2,3-dihydrobenzo[f][1,4...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4ccc(cc4OC(C)(C)C3)C#N)c2c1 Show InChI InChI=1S/C32H33N5O3/c1-19-24(10-12-28-31(19)34-35-36(28)4)25(15-30(38)39)22-8-7-21-9-11-27(26(21)14-22)37-17-23-6-5-20(16-33)13-29(23)40-32(2,3)18-37/h5-8,10,12-14,25,27H,9,11,15,17-18H2,1-4H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381917 (US10272095, Example 79 | rel-(R)-3-(1,4-Dimethyl- ...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@@H](c1ccc2CC[C@@H](N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C33H38N4O3/c1-20-24(14-16-27-30(20)34-35-36(27)6)29(33(4,5)31(38)39)22-12-11-21-13-15-26(25(21)17-22)37-18-23-9-7-8-10-28(23)40-32(2,3)19-37/h7-12,14,16-17,26,29H,13,15,18-19H2,1-6H3,(H,38,39)/t26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381916 (US10272095, Example 78 | rel-(S)-3-(1,4-Dimethyl- ...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@H](N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C33H38N4O3/c1-20-24(14-16-27-30(20)34-35-36(27)6)29(33(4,5)31(38)39)22-12-11-21-13-15-26(25(21)17-22)37-18-23-9-7-8-10-28(23)40-32(2,3)19-37/h7-12,14,16-17,26,29H,13,15,18-19H2,1-6H3,(H,38,39)/t26-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381911 (US10272095, Example 73 | rel-(R)-3-(1,4-Dimethyl-1...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@@H](c1ccc2CC[C@@H](N3Cc4cnccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-16-33-14-13-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)/t25-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381910 (US10272095, Example 72 | US10272095, Example 85 | ...) Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)[C@H]1CCc2ccc(cc12)[C@@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381909 (US10272095, Example 71 | rel-(S)-3-(1,4-Dimethyl-1...) Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)[C@@H]1CCc2ccc(cc12)[C@@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381908 (US10272095, Example 70 | rac-(R)-3-(1,4-Dimethyl- ...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@@H](N3Cc4ccncc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-13-14-33-16-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)/t25-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381904 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(c1ccc2CCC(N3Cc4cccnc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O Show InChI InChI=1S/C32H37N5O3/c1-19-23(12-14-26-28(19)34-35-36(26)6)27(32(4,5)30(38)39)21-10-9-20-11-13-25(24(20)16-21)37-17-22-8-7-15-33-29(22)40-31(2,3)18-37/h7-10,12,14-16,25,27H,11,13,17-18H2,1-6H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381900 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(c1ccc2CCC(N3Cc4cnccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-16-33-14-13-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381896 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,...) Show SMILES C[C@@H]1CN(Cc2ccccc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H36N4O3/c1-19-17-36(18-23-8-6-7-9-28(23)39-19)26-14-12-21-10-11-22(16-25(21)26)29(32(3,4)31(37)38)24-13-15-27-30(20(24)2)33-34-35(27)5/h6-11,13,15-16,19,26,29H,12,14,17-18H2,1-5H3,(H,37,38)/t19-,26?,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381892 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES C[C@@H]1CN(Cc2cc(C)ccc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C33H38N4O3/c1-19-7-14-29-24(15-19)18-37(17-20(2)40-29)27-12-10-22-8-9-23(16-26(22)27)30(33(4,5)32(38)39)25-11-13-28-31(21(25)3)34-35-36(28)6/h7-9,11,13-16,20,27,30H,10,12,17-18H2,1-6H3,(H,38,39)/t20-,27?,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381888 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES CC[C@@H]1CN(Cc2ccccc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C33H38N4O3/c1-6-24-19-37(18-23-9-7-8-10-29(23)40-24)27-15-13-21-11-12-22(17-26(21)27)30(33(3,4)32(38)39)25-14-16-28-31(20(25)2)34-35-36(28)5/h7-12,14,16-17,24,27,30H,6,13,15,18-19H2,1-5H3,(H,38,39)/t24-,27?,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.5	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381925 (5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(3-((R)-2-ethy...) Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)C1CCc2ccc(cc12)C(CCc1cn(CC)nn1)C(C)C |r| Show InChI InChI=1S/C29H39N5O/c1-5-25-19-33(17-23-16-30-14-13-29(23)35-25)28-12-9-21-7-8-22(15-27(21)28)26(20(3)4)11-10-24-18-34(6-2)32-31-24/h7-8,13-16,18,20,25-26,28H,5-6,9-12,17,19H2,1-4H3/t25-,26?,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381872 (3-(3-(2,2-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepi...) Show SMILES Cc1cc(F)ccc1C(c1ccc2CCC(N3Cc4ccccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O Show InChI InChI=1S/C32H36FNO3/c1-20-16-24(33)13-14-25(20)29(32(4,5)30(35)36)22-11-10-21-12-15-27(26(21)17-22)34-18-23-8-6-7-9-28(23)37-31(2,3)19-34/h6-11,13-14,16-17,27,29H,12,15,18-19H2,1-5H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381843 (3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-{1-[...) Show SMILES CCC1CCC(CN2C3C(CC2=O)Cc2ccc(cc32)C(CC(O)=O)c2ccc3n(C)nnc3c2C)CC1 |(-7.99,-3.7,;-7.22,-2.36,;-5.68,-2.36,;-4.91,-1.03,;-3.37,-1.03,;-2.6,-2.36,;-1.06,-2.36,;-.03,-3.51,;1.51,-3.35,;2.13,-4.75,;.99,-5.78,;-.35,-5.01,;-1.75,-5.64,;3.66,-4.59,;3.98,-3.09,;5.32,-2.32,;5.32,-.78,;3.98,-.01,;2.65,-.78,;2.65,-2.32,;3.98,1.53,;5.32,2.3,;6.65,1.53,;6.65,-.01,;7.99,2.3,;2.65,2.3,;2.65,3.84,;1.32,4.61,;-.02,3.84,;-1.48,4.32,;-1.96,5.78,;-2.39,3.07,;-1.48,1.83,;-.02,2.3,;1.32,1.53,;1.32,-.01,;-3.37,-3.7,;-4.91,-3.7,)| Show InChI InChI=1S/C31H38N4O3/c1-4-19-5-7-20(8-6-19)17-35-28(36)15-23-13-21-9-10-22(14-26(21)31(23)35)25(16-29(37)38)24-11-12-27-30(18(24)2)32-33-34(27)3/h9-12,14,19-20,23,25,31H,4-8,13,15-17H2,1-3H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381910 (US10272095, Example 72 | US10272095, Example 85 | ...) Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)[C@H]1CCc2ccc(cc12)[C@@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381905 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4cccnc4OC(C)(C)C3)c2c1 Show InChI InChI=1S/C30H33N5O3/c1-18-22(10-12-26-28(18)32-33-34(26)4)23(15-27(36)37)20-8-7-19-9-11-25(24(19)14-20)35-16-21-6-5-13-31-29(21)38-30(2,3)17-35/h5-8,10,12-14,23,25H,9,11,15-17H2,1-4H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381906 (US10272095, Example 68 | rac-(R)-3-(1,4-Dimethyl- ...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@H](c1ccc2CC[C@H](N3Cc4ncccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-22(12-14-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-10-9-20-11-13-25(23(20)16-21)37-17-24-27(8-7-15-33-24)40-31(2,3)18-37/h7-10,12,14-16,25,28H,11,13,17-18H2,1-6H3,(H,38,39)/t25-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381842 (3-(3-(2,3-Dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2...) Show SMILES COc1cc(C(CC(O)=O)c2ccc3CCC(N4CCOc5ccccc5C4)c3c2)c(C)c2nnn(C)c12 Show InChI InChI=1S/C30H32N4O4/c1-18-22(15-27(37-3)30-29(18)31-32-33(30)2)23(16-28(35)36)20-9-8-19-10-11-25(24(19)14-20)34-12-13-38-26-7-5-4-6-21(26)17-34/h4-9,14-15,23,25H,10-13,16-17H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381840 (3-(1-(tert-Butoxycarbonyl)-1,2,3,3a,4,8b-hexahydro...) Show SMILES COc1cc(C(CC(O)=O)c2ccc3CC4CCN(C4c3c2)C(=O)OC(C)(C)C)c(C)c2nnn(C)c12 Show InChI InChI=1S/C28H34N4O5/c1-15-19(13-22(36-6)26-24(15)29-30-31(26)5)20(14-23(33)34)17-8-7-16-11-18-9-10-32(25(18)21(16)12-17)27(35)37-28(2,3)4/h7-8,12-13,18,20,25H,9-11,14H2,1-6H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381919 (US10272095, Example 81 | rel-(S)-3-(1,4-Dimethyl-1...) Show SMILES CC[C@@H]1CN(Cc2ccccc2O1)[C@H]1CCc2ccc(cc12)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1C |r| Show InChI InChI=1S/C31H34N4O3/c1-4-23-18-35(17-22-7-5-6-8-29(22)38-23)27-13-11-20-9-10-21(15-26(20)27)25(16-30(36)37)24-12-14-28-31(19(24)2)32-33-34(28)3/h5-10,12,14-15,23,25,27H,4,11,13,16-18H2,1-3H3,(H,36,37)/t23-,25+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381920 (US10272095, Example 82 | US10272095, Example 83 | ...) Show SMILES CC[C@@H]1CN(Cc2ccccc2O1)[C@@H]1CCc2ccc(cc12)[C@H](CC(O)=O)c1ccc2n(C)nnc2c1C |r| Show InChI InChI=1S/C31H34N4O3/c1-4-23-18-35(17-22-7-5-6-8-29(22)38-23)27-13-11-20-9-10-21(15-26(20)27)25(16-30(36)37)24-12-14-28-31(19(24)2)32-33-34(28)3/h5-10,12,14-15,23,25,27H,4,11,13,16-18H2,1-3H3,(H,36,37)/t23-,25+,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381897 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-2,...) Show SMILES C[C@H]1CN(Cc2cccnc2O1)C1CCc2ccc(cc12)C(c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C31H35N5O3/c1-18-16-36(17-22-7-6-14-32-29(22)39-18)25-12-10-20-8-9-21(15-24(20)25)27(31(3,4)30(37)38)23-11-13-26-28(19(23)2)33-34-35(26)5/h6-9,11,13-15,18,25,27H,10,12,16-17H2,1-5H3,(H,37,38)/t18-,25?,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381913 (US10272095, Example 75 | rel-(S)-3-(1,4-Dimethyl-1...) Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)[C@@H]1CCc2ccc(cc12)[C@H](c1ccc2n(C)nnc2c1C)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-6-23-18-37(17-22-16-33-14-13-28(22)40-23)26-11-9-20-7-8-21(15-25(20)26)29(32(3,4)31(38)39)24-10-12-27-30(19(24)2)34-35-36(27)5/h7-8,10,12-16,23,26,29H,6,9,11,17-18H2,1-5H3,(H,38,39)/t23-,26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381894 (3-(3-(2,2-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepi...) Show SMILES CCCc1cn(CCC(c2ccc3CCC(N4Cc5ccccc5OC(C)(C)C4)c3c2)C(C)(C)C(O)=O)nn1 Show InChI InChI=1S/C32H42N4O3/c1-6-9-25-20-36(34-33-25)17-16-27(32(4,5)30(37)38)23-13-12-22-14-15-28(26(22)18-23)35-19-24-10-7-8-11-29(24)39-31(2,3)21-35/h7-8,10-13,18,20,27-28H,6,9,14-17,19,21H2,1-5H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381893 (3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...) Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4cnccc4OC(C)(C)C3)c2c1 Show InChI InChI=1S/C30H33N5O3/c1-18-22(8-10-26-29(18)32-33-34(26)4)23(14-28(36)37)20-6-5-19-7-9-25(24(19)13-20)35-16-21-15-31-12-11-27(21)38-30(2,3)17-35/h5-6,8,10-13,15,23,25H,7,9,14,16-17H2,1-4H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381912 (US10272095, Example 74 | rel-(R)-3-(1,4-Dimethyl-1...) Show SMILES Cc1c(ccc2n(C)nnc12)[C@@H](c1ccc2CC[C@H](N3Cc4cnccc4OC(C)(C)C3)c2c1)C(C)(C)C(O)=O |r| Show InChI InChI=1S/C32H37N5O3/c1-19-23(10-12-26-29(19)34-35-36(26)6)28(32(4,5)30(38)39)21-8-7-20-9-11-25(24(20)15-21)37-17-22-16-33-14-13-27(22)40-31(2,3)18-37/h7-8,10,12-16,25,28H,9,11,17-18H2,1-6H3,(H,38,39)/t25-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM381890 (3-(3-(2,2-dimethyl-2,3-dihydrobenzo[f][1,4]oxazepi...) Show SMILES CCn1nnc(CCC(c2ccc3CCC(N4Cc5ccccc5OC(C)(C)C4)c3c2)C(C)(C)C(O)=O)n1 Show InChI InChI=1S/C30H39N5O3/c1-6-35-32-27(31-33-35)16-14-24(30(4,5)28(36)37)21-12-11-20-13-15-25(23(20)17-21)34-18-22-9-7-8-10-26(22)38-29(2,3)19-34/h7-12,17,24-25H,6,13-16,18-19H2,1-5H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
TargeGen Inc.					Assay Description NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...				J Med Chem 50: 4279-94 (2007) BindingDB Entry DOI: 10.7270/Q2SN0C8F
					More data for this Ligand-Target Pair

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