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Compile Data Set for Download or QSAR

Found 672 hits of ec50 data for polymerid = 50006637   
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50586351
PNG
(CHEMBL5075461)
Show SMILES Cc1ccncc1N1CCOC2(C1)CC(C)(C)C(=O)C(=C2)C#N |c:21|
PDB

KEGG

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n/an/an/an/a 2.5n/an/an/an/a


TBA

Assay Description
Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00156
BindingDB Entry DOI: 10.7270/Q2000603
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50586347
PNG
(CHEMBL5090792)
Show SMILES CC1(C)CC2(OCc3cc(Cl)ccc23)C=C(C#N)C1=O |t:16|
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KEGG

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n/an/an/an/a 2.90n/an/an/an/a


TBA

Assay Description
Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00156
BindingDB Entry DOI: 10.7270/Q2000603
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50586352
PNG
(CHEMBL5079553)
Show SMILES CC1(C)CC2(CN(CCO2)c2cccnc2)C=C(C#N)C1=O |t:18|
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KEGG

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n/an/an/an/a 3.10n/an/an/an/a


TBA

Assay Description
Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00156
BindingDB Entry DOI: 10.7270/Q2000603
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50586349
PNG
(CHEMBL5085834)
Show SMILES CC1(C)CC2(CN(CCO2)c2ccncc2F)C=C(C#N)C1=O |t:19|
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KEGG

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n/an/an/an/a 3.20n/an/an/an/a


TBA

Assay Description
Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00156
BindingDB Entry DOI: 10.7270/Q2000603
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50586350
PNG
(CHEMBL5077969)
Show SMILES Cc1cncc(c1)N1CCOC2(C1)CC(C)(C)C(=O)C(=C2)C#N |c:21|
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KEGG

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n/an/an/an/a 4.5n/an/an/an/a


TBA

Assay Description
Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00156
BindingDB Entry DOI: 10.7270/Q2000603
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50586348
PNG
(CHEMBL5084845)
Show SMILES CC1(C)CC2(CN(CCO2)c2ccccn2)C=C(C#N)C1=O |t:18|
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n/an/an/an/a 5.80n/an/an/an/a


TBA

Assay Description
Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00156
BindingDB Entry DOI: 10.7270/Q2000603
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50539550
PNG
(CHEMBL4643134)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r|
Show InChI InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1
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n/an/an/an/a 9.20n/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Activation of Nrf2 in human spinal cord astrocytes assessed as increase in glutathione level after 20 hrs

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126852
BindingDB Entry DOI: 10.7270/Q21Z47ZJ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304888
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CCc2cn(CC)nn2)C(C)C(O)=O)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C28H36N4O5S/c1-5-24-18-32(38(35,36)27-10-8-7-9-26(27)37-24)16-22-15-21(12-11-19(22)3)25(20(4)28(33)34)14-13-23-17-31(6-2)30-29-23/h7-12,15,17,20,24-25H,5-6,13-14,16,18H2,1-4H3,(H,33,34)/t20?,24-,25?/m1/s1
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n/an/an/an/a<10n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50557134
PNG
(CHEMBL4776211)
Show SMILES [H][C@@]12CCC(C)(C)C[C@@]1([H])[C@@]1([H])C(=O)C=C3[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)C(=C[C@]34C)C#N)[C@]1(C)C[C@@H]2C(=O)OC |r,c:15,28|
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TBA

Assay Description
Activation of Nrf2 (unknown origin) expressed in human U2OS cells co-expressing Keap1 assessed as increase in Nrf2 nuclear translocation incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113103
BindingDB Entry DOI: 10.7270/Q2222ZF3
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304758
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,5,15-17H2,1-4H3,(H,34,35)/t22-,24?/m1/s1
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n/an/an/an/a<10n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304887
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CCc2cn(CC)nn2)C(C)C(O)=O)S(=O)(=O)c2ccccc2O1 |r,w:14.14,23.25|
Show InChI InChI=1S/C28H36N4O5S/c1-5-24-18-32(38(35,36)27-10-8-7-9-26(27)37-24)16-22-15-21(12-11-19(22)3)25(20(4)28(33)34)14-13-23-17-31(6-2)30-29-23/h7-12,15,17,20,24-25H,5-6,13-14,16,18H2,1-4H3,(H,33,34)/t20?,24-,25?/m1/s1
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n/an/an/an/a<10n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304727
PNG
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22?/m1/s1
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Activation of Nrf2 in human BEAS2B cells assessed as increase in NQO1 enzymatic activity measured after 48 hrs by MTT assay

J Med Chem 62: 4683-4702 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00279
BindingDB Entry DOI: 10.7270/Q2PK0KKB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human BEAS2B cells assessed as induction of NQO1 specific activity incubated for 48 hrs measured on day 4 pos...

J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of HO-1 mRNA expression incubated fo...

J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of NQO1 mRNA expression incubated fo...

J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50557092
PNG
(CHEMBL4793600)
Show SMILES Clc1cccnc1\C=C\S(=O)(=O)c1ccccc1Cl
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TBA

Assay Description
Activation of Nrf2 (unknown origin) expressed in human U2OS cells co-expressing Keap1 assessed as increase in Nrf2 nuclear translocation incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113103
BindingDB Entry DOI: 10.7270/Q2222ZF3
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of TXNRD1 mRNA expression incubated ...

J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50120422
PNG
(CHEMBL3617852)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C26H24N2O8S2/c1-35-18-7-11-20(12-8-18)37(31,32)27-24-15-16-25(23-6-4-3-5-22(23)24)28(17-26(29)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,27H,17H2,1-2H3,(H,29,30)
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University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2

J Med Chem 58: 7186-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00602
BindingDB Entry DOI: 10.7270/Q2FN181B
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304721
PNG
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CC(C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Activation of Nrf2 in human BEAS2B cells assessed as increase in NQO1 enzymatic activity measured after 48 hrs by MTT assay

J Med Chem 62: 4683-4702 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00279
BindingDB Entry DOI: 10.7270/Q2PK0KKB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50557075
PNG
(CHEMBL4757795)
Show SMILES Fc1ccccc1S(=O)(=O)\C=C\c1ncccc1Cl
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TBA

Assay Description
Activation of Nrf2 (unknown origin) expressed in human U2OS cells co-expressing Keap1 assessed as increase in Nrf2 nuclear translocation incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113103
BindingDB Entry DOI: 10.7270/Q2222ZF3
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of GCLM mRNA expression incubated fo...

J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50601821
PNG
(CHEMBL5206387)
Show SMILES CCC[C@@H]1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@H]1C[C@@H]1c1cn(C)nn1 |r|
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n/an/an/an/a 43n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01351
BindingDB Entry DOI: 10.7270/Q2JS9VJF
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM50557099
PNG
(CHEMBL4783026)
Show SMILES Clc1cccc(c1)S(=O)(=O)\C=C\c1ncccc1Cl
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Assay Description
Activation of Nrf2 (unknown origin) expressed in human U2OS cells co-expressing Keap1 assessed as increase in Nrf2 nuclear translocation incubated fo...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113103
BindingDB Entry DOI: 10.7270/Q2222ZF3
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304733
PNG
((S)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)[C@H](CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-20(23(14-27(33)34)22-11-12-24-28(19(22)3)29-30-31(24)4)13-21(17)16-32-15-18(2)37-25-7-5-6-8-26(25)38(32,35)36/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)/t18-,23+/m1/s1
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304734
PNG
((R)-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)[C@@H](CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C28H30N4O5S/c1-17-9-10-20(23(14-27(33)34)22-11-12-24-28(19(22)3)29-30-31(24)4)13-21(17)16-32-15-18(2)37-25-7-5-6-8-26(25)38(32,35)36/h5-13,18,23H,14-16H2,1-4H3,(H,33,34)/t18-,23-/m1/s1
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304735
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,5,15-17H2,1-4H3,(H,34,35)
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304736
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H31N5O5S/c1-5-21-16-33(39(36,37)25-7-6-12-29-28(25)38-21)15-20-13-19(9-8-17(20)2)23(14-26(34)35)22-10-11-24-27(18(22)3)30-31-32(24)4/h6-13,21,23H,5,14-16H2,1-4H3,(H,34,35)
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304737
PNG
(3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-benzo[b]...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C29H32N4O6S/c1-5-22-17-33(40(36,37)27-9-7-6-8-25(27)39-22)16-21-12-19(11-10-18(21)2)23(15-28(34)35)20-13-24-29(26(14-20)38-4)32(3)31-30-24/h6-14,22-23H,5,15-17H2,1-4H3,(H,34,35)
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304738
PNG
(3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H31N5O6S/c1-5-21-16-33(40(36,37)25-7-6-10-29-28(25)39-21)15-20-11-18(9-8-17(20)2)22(14-26(34)35)19-12-23-27(24(13-19)38-4)32(3)31-30-23/h6-13,21-22H,5,14-16H2,1-4H3,(H,34,35)
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304750
PNG
(3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-benzo[b]...)
Show SMILES CCC1CN(C(C)c2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2ccccc2O1
Show InChI InChI=1S/C31H36N4O5S/c1-6-23-18-35(41(38,39)29-11-9-8-10-28(29)40-23)21(5)25-16-22(13-12-19(25)3)26(17-30(36)37)24-14-15-27-31(20(24)4)32-33-34(27)7-2/h8-16,21,23,26H,6-7,17-18H2,1-5H3,(H,36,37)
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304751
PNG
(3-(1-ethyl-4-methyl-1H-benzo[d][1,2,3]triazol-5-yl...)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C29H32N4O5S/c1-5-33-25-13-12-23(20(4)29(25)30-31-33)24(15-28(34)35)21-11-10-18(2)22(14-21)17-32-16-19(3)38-26-8-6-7-9-27(26)39(32,36)37/h6-14,19,24H,5,15-17H2,1-4H3,(H,34,35)/t19-,24?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304753
PNG
(3-(3-((4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304755
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1 |r|
Show InChI InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)/t22-,24?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304756
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2cccnc2O1 |r|
Show InChI InChI=1S/C28H31N5O5S/c1-5-21-16-33(39(36,37)25-7-6-12-29-28(25)38-21)15-20-13-19(9-8-17(20)2)23(14-26(34)35)22-10-11-24-27(18(22)3)30-31-32(24)4/h6-13,21,23H,5,14-16H2,1-4H3,(H,34,35)/t21-,23?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304757
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C30H34N4O5S/c1-5-23-18-33(40(37,38)28-10-8-7-9-27(28)39-23)17-22-15-21(12-11-19(22)3)25(16-29(35)36)24-13-14-26-30(20(24)4)31-32-34(26)6-2/h7-15,23,25H,5-6,16-18H2,1-4H3,(H,35,36)/t23-,25?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304758
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,5,15-17H2,1-4H3,(H,34,35)/t22-,24?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304759
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-benz...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C29H32N4O6S/c1-5-22-17-33(40(36,37)27-9-7-6-8-25(27)39-22)16-21-12-19(11-10-18(21)2)23(15-28(34)35)20-13-24-29(26(14-20)38-4)32(3)31-30-24/h6-14,22-23H,5,15-17H2,1-4H3,(H,34,35)/t22-,23?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304760
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1 |r|
Show InChI InChI=1S/C28H31N5O6S/c1-5-21-16-33(40(36,37)25-7-6-10-29-28(25)39-21)15-20-11-18(9-8-17(20)2)22(14-26(34)35)19-12-23-27(24(13-19)38-4)32(3)31-30-23/h6-13,21-22H,5,14-16H2,1-4H3,(H,34,35)/t21-,22?/m1/s1
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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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304769
PNG
(3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-...)
Show SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1cccc(CN2C[C@@H](C)Oc3ncccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C26H27N5O6S/c1-16-14-31(38(34,35)23-8-5-9-27-26(23)37-16)15-17-6-4-7-18(10-17)20(13-24(32)33)19-11-21-25(22(12-19)36-3)30(2)29-28-21/h4-12,16,20H,13-15H2,1-3H3,(H,32,33)/t16-,20?/m1/s1
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304789
PNG
(3-(4-fluoro-1,7-dimethyl-1H-benzo[d][1,2,3]triazol...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(C)c3n(C)nnc3c2F)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C28H29FN4O5S/c1-16-9-10-19(21(13-25(34)35)22-11-17(2)28-27(26(22)29)30-31-32(28)4)12-20(16)15-33-14-18(3)38-23-7-5-6-8-24(23)39(33,36)37/h5-12,18,21H,13-15H2,1-4H3,(H,34,35)/t18-,21?/m1/s1
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304819
PNG
(2-Methyl-3-(1-methyl-1H-benzo[d][1,2,3]triazol-5-y...)
Show SMILES CC(C(c1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2)c1)c1ccc2n(C)nnc2c1)C(O)=O
Show InChI InChI=1S/C26H28N4O4S/c1-17-10-11-19(14-21(17)16-29(3)35(33,34)22-8-6-5-7-9-22)25(18(2)26(31)32)20-12-13-24-23(15-20)27-28-30(24)4/h5-15,18,25H,16H2,1-4H3,(H,31,32)
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304833
PNG
(3-(1-Ethyl-2-oxo-1,2-dihydropyridin-4-yl)-3-(4-met...)
Show SMILES CCn1ccc(cc1=O)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Show InChI InChI=1S/C27H30N2O6S/c1-4-28-12-11-21(14-26(28)30)23(15-27(31)32)20-10-9-18(2)22(13-20)17-29-16-19(3)35-24-7-5-6-8-25(24)36(29,33)34/h5-14,19,23H,4,15-17H2,1-3H3,(H,31,32)/t19-,23?/m1/s1
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n/an/an/an/a 55n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304848
PNG
(3-(3-((4-Ethyl-1,1-dioxido-3,4-dihydro-2H-benzo[e]...)
Show SMILES CCC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2cc(OC)c3n(C)nnc3c2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C29H32N4O5S/c1-5-19-16-33(39(36,37)27-9-7-6-8-23(19)27)17-22-12-20(11-10-18(22)2)24(15-28(34)35)21-13-25-29(26(14-21)38-4)32(3)31-30-25/h6-14,19,24H,5,15-17H2,1-4H3,(H,34,35)
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304858
PNG
(3-(3-((7-(3-((tert-Butoxycarbonyl)amino)propyl)-4-...)
Show SMILES CC1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2)S(=O)(=O)c2ccc(CCCNC(=O)OC(C)(C)C)cc2C1
Show InChI InChI=1S/C36H45N5O6S/c1-23-16-28-17-25(8-7-15-37-35(44)47-36(3,4)5)10-14-33(28)48(45,46)41(21-23)22-29-18-26(11-9-24(29)2)30(20-34(42)43)27-12-13-32-31(19-27)38-39-40(32)6/h9-14,17-19,23,30H,7-8,15-16,20-22H2,1-6H3,(H,37,44)(H,42,43)
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304867
PNG
(3-(3-(((R)-8-Chloro-4-methyl-1,1-dioxido-3,4-dihyd...)
Show SMILES C[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2)S(=O)(=O)c2cc(Cl)ccc2O1 |r|
Show InChI InChI=1S/C27H27ClN4O5S/c1-16-4-5-18(22(13-27(33)34)19-6-8-24-23(11-19)29-30-31(24)3)10-20(16)15-32-14-17(2)37-25-9-7-21(28)12-26(25)38(32,35)36/h4-12,17,22H,13-15H2,1-3H3,(H,33,34)/t17-,22?/m1/s1
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304874
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES Cc1ccc(cc1CN1CC2CCCCC2CS1(=O)=O)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C27H34N4O4S/c1-17-8-9-19(12-22(17)15-31-14-20-6-4-5-7-21(20)16-36(31,34)35)24(13-26(32)33)23-10-11-25-27(18(23)2)28-29-30(25)3/h8-12,20-21,24H,4-7,13-16H2,1-3H3,(H,32,33)
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304876
PNG
(3-(1,4-Dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES Cc1ccc(cc1CN1CC2CCCCC2CCS1(=O)=O)C(CC(O)=O)c1ccc2n(C)nnc2c1C
Show InChI InChI=1S/C28H36N4O4S/c1-18-8-9-21(25(15-27(33)34)24-10-11-26-28(19(24)2)29-30-31(26)3)14-23(18)17-32-16-22-7-5-4-6-20(22)12-13-37(32,35)36/h8-11,14,20,22,25H,4-7,12-13,15-17H2,1-3H3,(H,33,34)
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304758
PNG
(3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(C)nnc3c2C)S(=O)(=O)c2ccccc2O1 |r|
Show InChI InChI=1S/C29H32N4O5S/c1-5-22-17-33(39(36,37)27-9-7-6-8-26(27)38-22)16-21-14-20(11-10-18(21)2)24(15-28(34)35)23-12-13-25-29(19(23)3)30-31-32(25)4/h6-14,22,24H,5,15-17H2,1-4H3,(H,34,35)/t22-,24?/m1/s1
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304755
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1 |r|
Show InChI InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)/t22-,24?/m1/s1
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))		BDBM304755
PNG
(3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyri...)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC)nnc3c2C)S(=O)(=O)c2cccnc2O1 |r|
Show InChI InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)/t22-,24?/m1/s1
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GlaxoSmithKline Intellectual Property Development Limited; Astex Therapeutics, Ltd

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 US10144731 (2018)


BindingDB Entry DOI: 10.7270/Q25X2C17
More data for this
Ligand-Target Pair
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