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Patent code US10272095

Compile Data Set for Download or QSAR
Found 87 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381849
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381872
PNG
(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)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381874
PNG
(3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,2-f][1,4]ox...)
Show SMILES Cc1cc(F)ccc1C(CC(O)=O)c1ccc2CCC(N3Cc4cccnc4OC(C)(C)C3)c2c1
Show InChI InChI=1S/C29H31FN2O3/c1-18-13-22(30)9-10-23(18)24(15-27(33)34)20-7-6-19-8-11-26(25(19)14-20)32-16-21-5-4-12-31-28(21)35-29(2,3)17-32/h4-7,9-10,12-14,24,26H,8,11,15-17H2,1-3H3,(H,33,34)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381890
PNG
(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)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381920
PNG
(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
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
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381843
PNG
(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
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)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381850
PNG
(3-(3-(2,3-Dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(c1ccc2CCC(N3CCOc4ncccc4C3)c2c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C30H33N5O3/c1-18-22(10-12-25-27(18)32-33-34(25)4)26(30(2,3)29(36)37)20-8-7-19-9-11-24(23(19)16-20)35-14-15-38-28-21(17-35)6-5-13-31-28/h5-8,10,12-13,16,24,26H,9,11,14-15,17H2,1-4H3,(H,36,37)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381860
PNG
(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)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381862
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cnccc2O1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C30H33N5O3/c1-4-22-17-35(16-21-15-31-12-11-28(21)38-22)26-9-7-19-5-6-20(13-25(19)26)24(14-29(36)37)23-8-10-27-30(18(23)2)32-33-34(27)3/h5-6,8,10-13,15,22,24,26H,4,7,9,14,16-17H2,1-3H3,(H,36,37)/t22-,24?,26?/m1/s1
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381865
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381869
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381870
PNG
(3-(4-Cyano-2-methylphenyl)-3-(3-(2,2-dimethyl-2,3-...)
Show SMILES Cc1cc(ccc1C(CC(O)=O)c1ccc2CCC(N3Cc4cccnc4OC(C)(C)C3)c2c1)C#N
Show InChI InChI=1S/C30H31N3O3/c1-19-13-20(16-31)6-10-24(19)25(15-28(34)35)22-8-7-21-9-11-27(26(21)14-22)33-17-23-5-4-12-32-29(23)36-30(2,3)18-33/h4-8,10,12-14,25,27H,9,11,15,17-18H2,1-3H3,(H,34,35)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381889
PNG
(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(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C31H34N4O3/c1-18-5-12-29-23(13-18)17-35(16-19(2)38-29)27-10-8-21-6-7-22(14-26(21)27)25(15-30(36)37)24-9-11-28-31(20(24)3)32-33-34(28)4/h5-7,9,11-14,19,25,27H,8,10,15-17H2,1-4H3,(H,36,37)/t19-,25?,27?/m1/s1
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381892
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381900
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381901
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2ccccc2O1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
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
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381920
PNG
(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
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
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381852
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381854
PNG
(3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,2-f][1,4]ox...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc2CCC(N3Cc4cccnc4OC(C)(C)C3)c2c1
Show InChI InChI=1S/C30H33N5O4/c1-30(2)17-35(16-20-6-5-11-31-29(20)39-30)25-10-9-18-7-8-19(12-23(18)25)22(15-27(36)37)21-13-24-28(26(14-21)38-4)34(3)33-32-24/h5-8,11-14,22,25H,9-10,15-17H2,1-4H3,(H,36,37)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381861
PNG
(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)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381863
PNG
(3-[1-(2-Cyclohexylacetyl)-1H,2H,3H,3aH,4H,8bH-inde...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)CC1CCCCC1
Show InChI InChI=1S/C30H36N4O3/c1-18-23(10-11-26-29(18)31-32-33(26)2)24(17-28(36)37)21-9-8-20-15-22-12-13-34(30(22)25(20)16-21)27(35)14-19-6-4-3-5-7-19/h8-11,16,19,22,24,30H,3-7,12-15,17H2,1-2H3,(H,36,37)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381875
PNG
(3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-[1-(...)
Show SMILES CCCC(C)C(=O)N1CCC2Cc3ccc(cc3C12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C28H34N4O3/c1-5-6-16(2)28(35)32-12-11-20-13-18-7-8-19(14-23(18)27(20)32)22(15-25(33)34)21-9-10-24-26(17(21)3)29-30-31(24)4/h7-10,14,16,20,22,27H,5-6,11-13,15H2,1-4H3,(H,33,34)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381876
PNG
(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)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381879
PNG
(3-{1-[2-(2-Chlorophenyl)acetyl]-1H,2H,3H,3aH,4H,8b...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)Cc1ccccc1Cl
Show InChI InChI=1S/C30H29ClN4O3/c1-17-22(9-10-26-29(17)32-33-34(26)2)23(16-28(37)38)19-8-7-18-13-21-11-12-35(30(21)24(18)14-19)27(36)15-20-5-3-4-6-25(20)31/h3-10,14,21,23,30H,11-13,15-16H2,1-2H3,(H,37,38)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381881
PNG
(3-(3-((R)-2-Ethyl-2,3-dihydrobenzo[f][1,4]oxazepin...)
Show SMILES CC[C@@H]1CN(Cc2ccccc2O1)C1CCc2ccc(cc12)C(CC(O)=O)c1cc(OC)c2n(C)nnc2c1C
Show InChI InChI=1S/C32H36N4O4/c1-5-23-18-36(17-22-8-6-7-9-28(22)40-23)27-13-12-20-10-11-21(14-26(20)27)25(16-30(37)38)24-15-29(39-4)32-31(19(24)2)33-34-35(32)3/h6-11,14-15,23,25,27H,5,12-13,16-18H2,1-4H3,(H,37,38)/t23-,25?,27?/m1/s1
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381882
PNG
(3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,2-f][1,4]ox...)
Show SMILES Cc1c(ncc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3Cc4cccnc4OC(C)(C)C3)c2c1
Show InChI InChI=1S/C29H32N6O3/c1-17-26(31-14-24-27(17)32-33-34(24)4)22(13-25(36)37)19-8-7-18-9-10-23(21(18)12-19)35-15-20-6-5-11-30-28(20)38-29(2,3)16-35/h5-8,11-12,14,22-23H,9-10,13,15-16H2,1-4H3,(H,36,37)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381884
PNG
(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)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381893
PNG
(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)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381896
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381906
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381909
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381917
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381846
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@@H]1CN(Cc2ccccc2O1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C30H32N4O3/c1-18-16-34(17-22-6-4-5-7-28(22)37-18)26-12-10-20-8-9-21(14-25(20)26)24(15-29(35)36)23-11-13-27-30(19(23)2)31-32-33(27)3/h4-9,11,13-14,18,24,26H,10,12,15-17H2,1-3H3,(H,35,36)/t18-,24?,26?/m1/s1
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381858
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@H]1CN(Cc2ccccc2O1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C30H32N4O3/c1-18-16-34(17-22-6-4-5-7-28(22)37-18)26-12-10-20-8-9-21(14-25(20)26)24(15-29(35)36)23-11-13-27-30(19(23)2)31-32-33(27)3/h4-9,11,13-14,18,24,26H,10,12,15-17H2,1-3H3,(H,35,36)/t18-,24?,26?/m0/s1
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381859
PNG
(3-{1-[(tert-Butoxy)carbonyl]-1H,2H,3H,3aH,4H,8bH-i...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H32N4O4/c1-15-19(8-9-22-24(15)28-29-30(22)5)20(14-23(32)33)17-7-6-16-12-18-10-11-31(25(18)21(16)13-17)26(34)35-27(2,3)4/h6-9,13,18,20,25H,10-12,14H2,1-5H3,(H,32,33)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381877
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381885
PNG
(3-(3-(2,2-Dimethyl-2,3-dihydropyrido[3,4-f][1,4]ox...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc2CCC(N3Cc4cnccc4OC(C)(C)C3)c2c1
Show InChI InChI=1S/C30H33N5O4/c1-30(2)17-35(16-21-15-31-10-9-26(21)39-30)25-8-7-18-5-6-19(11-23(18)25)22(14-28(36)37)20-12-24-29(27(13-20)38-4)34(3)33-32-24/h5-6,9-13,15,22,25H,7-8,14,16-17H2,1-4H3,(H,36,37)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381886
PNG
(3-(3-(2,2-Dimethyl-2,3-dihydrobenzo[f][1,4]oxazepi...)
Show SMILES CCCc1cn(CCC(CC(O)=O)c2ccc3CCC(N4Cc5ccccc5OC(C)(C)C4)c3c2)nn1
Show InChI InChI=1S/C30H38N4O3/c1-4-7-25-19-34(32-31-25)15-14-23(17-29(35)36)22-11-10-21-12-13-27(26(21)16-22)33-18-24-8-5-6-9-28(24)37-30(2,3)20-33/h5-6,8-11,16,19,23,27H,4,7,12-15,17-18,20H2,1-3H3,(H,35,36)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381907
PNG
(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
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
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n/an/an/an/a<1n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381910
PNG
(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
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
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381840
PNG
(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)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381847
PNG
(3-[(3aR,8bS)-1-(cyclohexylmethyl)-2-oxo-1H,2H,3H,3...)
Show SMILES CCn1cc(CCC(CC(O)=O)c2ccc3CC4CC(=O)N(CC5CCCCC5)C4c3c2)nn1
Show InChI InChI=1S/C27H36N4O3/c1-2-30-17-23(28-29-30)11-10-20(15-26(33)34)19-8-9-21-12-22-14-25(32)31(27(22)24(21)13-19)16-18-6-4-3-5-7-18/h8-9,13,17-18,20,22,27H,2-7,10-12,14-16H2,1H3,(H,33,34)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381853
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381857
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381856
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381867
PNG
(3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-[1-(...)
Show SMILES CC(C(=O)N1CCC2Cc3ccc(cc3C12)C(CC(O)=O)c1ccc2n(C)nnc2c1C)c1ccccc1
Show InChI InChI=1S/C31H32N4O3/c1-18(20-7-5-4-6-8-20)31(38)35-14-13-23-15-21-9-10-22(16-26(21)30(23)35)25(17-28(36)37)24-11-12-27-29(19(24)2)32-33-34(27)3/h4-12,16,18,23,25,30H,13-15,17H2,1-3H3,(H,36,37)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381887
PNG
(3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-[1-(...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C28H34N4O3/c1-16-20(8-9-23-26(16)29-30-31(23)5)21(14-25(34)35)18-7-6-17-12-19-10-11-32(27(19)22(17)13-18)24(33)15-28(2,3)4/h6-9,13,19,21,27H,10-12,14-15H2,1-5H3,(H,34,35)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381908
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381912
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381915
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381848
PNG
(3-(3-(Cyclohexylmethyl)-2-oxo-3,3a,8,8a-tetrahydro...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3OC(=O)N(CC4CCCCC4)C3c2c1
Show InChI InChI=1S/C28H32N4O4/c1-16-20(10-11-23-26(16)29-30-31(23)2)21(14-25(33)34)18-8-9-19-13-24-27(22(19)12-18)32(28(35)36-24)15-17-6-4-3-5-7-17/h8-12,17,21,24,27H,3-7,13-15H2,1-2H3,(H,33,34)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381851
PNG
(3-[1-(Decahydronaphthalen-2-ylmethyl)-2-oxo-1H,2H,...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CC(=O)N(CC4CCC5CCCCC5C4)C3c2c1
Show InChI InChI=1S/C33H40N4O3/c1-19-26(11-12-29-32(19)34-35-36(29)2)27(17-31(39)40)24-10-9-23-14-25-16-30(38)37(33(25)28(23)15-24)18-20-7-8-21-5-3-4-6-22(21)13-20/h9-12,15,20-22,25,27,33H,3-8,13-14,16-18H2,1-2H3,(H,39,40)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381867
PNG
(3-(1,4-Dimethyl-1H-1,2,3-benzotriazol-5-yl)-3-[1-(...)
Show SMILES CC(C(=O)N1CCC2Cc3ccc(cc3C12)C(CC(O)=O)c1ccc2n(C)nnc2c1C)c1ccccc1
Show InChI InChI=1S/C31H32N4O3/c1-18(20-7-5-4-6-8-20)31(38)35-14-13-23-15-21-9-10-22(16-26(21)30(23)35)25(17-28(36)37)24-11-12-27-29(19(24)2)32-33-34(27)3/h4-12,16,18,23,25,30H,13-15,17H2,1-3H3,(H,36,37)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381873
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381891
PNG
(3-{1-[Butyl(methyl)carbamoyl]-1H,2H,3H,3aH,4H,8bH-...)
Show SMILES CCCCN(C)C(=O)N1CCC2Cc3ccc(cc3C12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C28H35N5O3/c1-5-6-12-31(3)28(36)33-13-11-20-14-18-7-8-19(15-23(18)27(20)33)22(16-25(34)35)21-9-10-24-26(17(21)2)29-30-32(24)4/h7-10,15,20,22,27H,5-6,11-14,16H2,1-4H3,(H,34,35)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381899
PNG
(3-(1-(tert-Butoxycarbonyl)-1,2,3,3a,4,8b-hexahydro...)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H34N4O4/c1-6-32-23-10-9-20(16(2)25(23)29-30-32)21(15-24(33)34)18-8-7-17-13-19-11-12-31(26(19)22(17)14-18)27(35)36-28(3,4)5/h7-10,14,19,21,26H,6,11-13,15H2,1-5H3,(H,33,34)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381904
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381910
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381911
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381914
PNG
(US10272095, Example 76 | rel-(R)-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
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
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381918
PNG
(US10272095, Example 80 | 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
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
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381919
PNG
(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
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
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381925
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381855
PNG
(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
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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381866
PNG
(3-(3-(2,3-Dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC(N3CCOc4ccccc4C3)c2c1
Show InChI InChI=1S/C29H30N4O3/c1-18-22(10-12-26-29(18)30-31-32(26)2)23(16-28(34)35)20-8-7-19-9-11-25(24(19)15-20)33-13-14-36-27-6-4-3-5-21(27)17-33/h3-8,10,12,15,23,25H,9,11,13-14,16-17H2,1-2H3,(H,34,35)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381878
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@@H]1CN(Cc2cccnc2O1)C1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C29H31N5O3/c1-17-15-34(16-21-5-4-12-30-29(21)37-17)25-10-8-19-6-7-20(13-24(19)25)23(14-27(35)36)22-9-11-26-28(18(22)2)31-32-33(26)3/h4-7,9,11-13,17,23,25H,8,10,14-16H2,1-3H3,(H,35,36)/t17-,23?,25?/m1/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381894
PNG
(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)
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381897
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381898
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES C[C@@H]1CN(Cc2ccccc2O1)C1CCCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C31H34N4O3/c1-19-17-35(18-23-7-4-5-10-29(23)38-19)27-9-6-8-21-11-12-22(15-26(21)27)25(16-30(36)37)24-13-14-28-31(20(24)2)32-33-34(28)3/h4-5,7,10-15,19,25,27H,6,8-9,16-18H2,1-3H3,(H,36,37)/t19-,25?,27?/m1/s1
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381903
PNG
(3-(1-(tert-Butoxycarbonyl)-1,2,3,3a,4,8b-hexahydro...)
Show SMILES CCn1cc(CCC(CC(O)=O)c2ccc3CC4CCN(C4c3c2)C(=O)OC(C)(C)C)nn1
Show InChI InChI=1S/C25H34N4O4/c1-5-28-15-20(26-27-28)9-8-17(14-22(30)31)16-6-7-18-12-19-10-11-29(23(19)21(18)13-16)24(32)33-25(2,3)4/h6-7,13,15,17,19,23H,5,8-12,14H2,1-4H3,(H,30,31)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381905
PNG
(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)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381913
PNG
(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
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
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381924
PNG
(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
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
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n/an/an/an/a<1n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381839
PNG
(3-[(3aR,8bS)-1-(cyclohexylmethyl)-2-oxo-1H,2H,3H,3...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CC(=O)N(CC4CCCCC4)C3c2c1
Show InChI InChI=1S/C29H34N4O3/c1-17-22(10-11-25-28(17)30-31-32(25)2)23(15-27(35)36)20-9-8-19-12-21-14-26(34)33(29(21)24(19)13-20)16-18-6-4-3-5-7-18/h8-11,13,18,21,23,29H,3-7,12,14-16H2,1-2H3,(H,35,36)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381841
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381842
PNG
(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)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381844
PNG
(3-(1-(Cyclohexylmethyl)-2-oxo-2,3,3a,4,5,9b-hexahy...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CCC3CC(=O)N(CC4CCCCC4)C3c2c1
Show InChI InChI=1S/C30H36N4O3/c1-18-23(12-13-26-29(18)31-32-33(26)2)24(16-28(36)37)21-10-8-20-9-11-22-15-27(35)34(30(22)25(20)14-21)17-19-6-4-3-5-7-19/h8,10,12-14,19,22,24,30H,3-7,9,11,15-17H2,1-2H3,(H,36,37)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381845
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381856
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381868
PNG
(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)
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381880
PNG
(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)
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n/an/an/an/a<1n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381883
PNG
(3-{1-[2-(2-Cyanophenyl)acetyl]-1H,2H,3H,3aH,4H,8bH...)
Show SMILES Cc1c(ccc2n(C)nnc12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)Cc1ccccc1[N+]#[C-]
Show InChI InChI=1S/C31H29N5O3/c1-18-23(10-11-27-30(18)33-34-35(27)3)24(17-29(38)39)20-9-8-19-14-22-12-13-36(31(22)25(19)15-20)28(37)16-21-6-4-5-7-26(21)32-2/h4-11,15,22,24,31H,12-14,16-17H2,1,3H3,(H,38,39)
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381888
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381895
PNG
(3-{1-[(tert-Butoxy)carbonyl]-1H,2H,3H,3aH,4H,8bH-i...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc2CC3CCN(C3c2c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H32N4O5/c1-27(2,3)36-26(34)31-9-8-17-10-15-6-7-16(11-20(15)24(17)31)19(14-23(32)33)18-12-21-25(22(13-18)35-5)30(4)29-28-21/h6-7,11-13,17,19,24H,8-10,14H2,1-5H3,(H,32,33)
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n/an/an/an/a 550n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381902
PNG
(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
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
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GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381916
PNG
(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
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
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n/an/an/an/a 5.5n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM381922
PNG
(US10272095, Example 84 | rel-(R)-3-(1,4-Dimethyl- ...)
Show SMILES CC[C@@H]1CN(Cc2ccccc2O1)[C@@H]1CCc2ccc(cc12)C(CC(O)=O)c1ccc2n(C)nnc2c1C
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
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n/an/an/an/a 5.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Propert Development Limited; Astex Therapeutics, Limited

US Patent


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...


US Patent US10272095 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%