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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50031245   
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))
BDBM50309775
PNG
(5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...)
Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C18H18N4O/c1-11(2)9-10-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)21-20-14/h3-8,11,19H,9-10H2,1-2H3
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n/an/a 92n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309777
PNG
(5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...)
Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C17H17N5O2/c1-22(2,24)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)21(16)20-19-13/h3-8,18H,9-10H2,1-2H3
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n/an/a 94n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309780
PNG
(5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c13
Show InChI InChI=1S/C18H19N5O3/c1-23(2,25)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(26-3)4-7-15(12)22(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3
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n/an/a 98n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309779
PNG
(5-(4-methoxyphenylamino)-6H-[1,2,3]triazolo[4,5,1-...)
Show SMILES COc1ccc(Nc2ccc3nnn4c3c2c(=O)c2ccccc42)cc1
Show InChI InChI=1S/C20H14N4O2/c1-26-13-8-6-12(7-9-13)21-15-10-11-16-19-18(15)20(25)14-4-2-3-5-17(14)24(19)23-22-16/h2-11,21H,1H3
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n/an/a 98n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309771
PNG
(8-bromo-5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,...)
Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C18H17BrN4O/c1-10(2)7-8-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)23(17)22-21-14/h3-6,9-10,20H,7-8H2,1-2H3
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n/an/a 107n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309766
PNG
(5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c13
Show InChI InChI=1S/C18H19N5O2/c1-22(2)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(25-3)4-7-15(12)23(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3
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n/an/a 111n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309778
PNG
(5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...)
Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C17H16BrN5O2/c1-23(2,25)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)22(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3
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n/an/a 117n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309774
PNG
(5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...)
Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C16H13BrN4O2/c17-9-2-5-13-10(8-9)16(23)14-11(18-6-1-7-22)3-4-12-15(14)21(13)20-19-12/h2-5,8,18,22H,1,6-7H2
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n/an/a 145n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309777
PNG
(5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...)
Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C17H17N5O2/c1-22(2,24)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)21(16)20-19-13/h3-8,18H,9-10H2,1-2H3
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n/an/a 167n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309768
PNG
(5-(2-(dimethylamino)ethylamino)-8-fluoro-6H-[1,2,3...)
Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(F)ccc31
Show InChI InChI=1S/C17H16FN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3
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n/an/a 188n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309776
PNG
(5-(3-hydroxypropylamino)-6H-[1,2,3]triazolo[4,5,1-...)
Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C16H14N4O2/c21-9-3-8-17-11-6-7-12-15-14(11)16(22)10-4-1-2-5-13(10)20(15)19-18-12/h1-2,4-7,17,21H,3,8-9H2
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n/an/a 203n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309773
PNG
(5-(3-hydroxypropylamino)-8-methoxy-6H-[1,2,3]triaz...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCCO)ccc3nnn2c13
Show InChI InChI=1S/C17H16N4O3/c1-24-10-3-6-14-11(9-10)17(23)15-12(18-7-2-8-22)4-5-13-16(15)21(14)20-19-13/h3-6,9,18,22H,2,7-8H2,1H3
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n/an/a 206n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309780
PNG
(5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c13
Show InChI InChI=1S/C18H19N5O3/c1-23(2,25)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(26-3)4-7-15(12)22(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3
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n/an/a 328n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309772
PNG
(8-methoxy-5-(phenethylamino)-6H-[1,2,3]triazolo[4,...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c13
Show InChI InChI=1S/C22H18N4O2/c1-28-15-7-10-19-16(13-15)22(27)20-17(8-9-18-21(20)26(19)25-24-18)23-12-11-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3
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n/an/a 350n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309775
PNG
(5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...)
Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C18H18N4O/c1-11(2)9-10-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)21-20-14/h3-8,11,19H,9-10H2,1-2H3
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n/an/a 427n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 450n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309776
PNG
(5-(3-hydroxypropylamino)-6H-[1,2,3]triazolo[4,5,1-...)
Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C16H14N4O2/c21-9-3-8-17-11-6-7-12-15-14(11)16(22)10-4-1-2-5-13(10)20(15)19-18-12/h1-2,4-7,17,21H,3,8-9H2
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n/an/a 483n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309778
PNG
(5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...)
Show SMILES C[N+](C)([O-])CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C17H16BrN5O2/c1-23(2,25)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)22(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3
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n/an/a 507n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309773
PNG
(5-(3-hydroxypropylamino)-8-methoxy-6H-[1,2,3]triaz...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCCO)ccc3nnn2c13
Show InChI InChI=1S/C17H16N4O3/c1-24-10-3-6-14-11(9-10)17(23)15-12(18-7-2-8-22)4-5-13-16(15)21(14)20-19-13/h3-6,9,18,22H,2,7-8H2,1H3
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n/an/a 517n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309770
PNG
(5-(phenethylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...)
Show SMILES O=c1c2ccccc2n2nnc3ccc(NCCc4ccccc4)c1c23
Show InChI InChI=1S/C21H16N4O/c26-21-15-8-4-5-9-18(15)25-20-17(23-24-25)11-10-16(19(20)21)22-13-12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
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n/an/a 567n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309771
PNG
(8-bromo-5-(isopentylamino)-6H-[1,2,3]triazolo[4,5,...)
Show SMILES CC(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C18H17BrN4O/c1-10(2)7-8-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)23(17)22-21-14/h3-6,9-10,20H,7-8H2,1-2H3
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n/an/a 767n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309767
PNG
(5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...)
Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C17H16BrN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309768
PNG
(5-(2-(dimethylamino)ethylamino)-8-fluoro-6H-[1,2,3...)
Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(F)ccc31
Show InChI InChI=1S/C17H16FN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3
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n/an/a 783n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309779
PNG
(5-(4-methoxyphenylamino)-6H-[1,2,3]triazolo[4,5,1-...)
Show SMILES COc1ccc(Nc2ccc3nnn4c3c2c(=O)c2ccccc42)cc1
Show InChI InChI=1S/C20H14N4O2/c1-26-13-8-6-12(7-9-13)21-15-10-11-16-19-18(15)20(25)14-4-2-3-5-17(14)24(19)23-22-16/h2-11,21H,1H3
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n/an/a 808n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309774
PNG
(5-(3-hydroxypropylamino)-8-bromo-6H-[1,2,3]triazol...)
Show SMILES OCCCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C16H13BrN4O2/c17-9-2-5-13-10(8-9)16(23)14-11(18-6-1-7-22)3-4-12-15(14)21(13)20-19-12/h2-5,8,18,22H,1,6-7H2
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n/an/a 987n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309766
PNG
(5-(2-(dimethylamino)ethylamino)-8-methoxy-6H-[1,2,...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nnn2c13
Show InChI InChI=1S/C18H19N5O2/c1-22(2)9-8-19-13-5-6-14-17-16(13)18(24)12-10-11(25-3)4-7-15(12)23(17)21-20-14/h4-7,10,19H,8-9H2,1-3H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309767
PNG
(5-(2-(dimethylamino)ethylamino)-8-bromo-6H-[1,2,3]...)
Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1cc(Br)ccc31
Show InChI InChI=1S/C17H16BrN5O/c1-22(2)8-7-19-12-4-5-13-16-15(12)17(24)11-9-10(18)3-6-14(11)23(16)21-20-13/h3-6,9,19H,7-8H2,1-2H3
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309769
PNG
(5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...)
Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C17H17N5O/c1-21(2)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)22(16)20-19-13/h3-8,18H,9-10H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50309769
PNG
(5-(2-(dimethylamino)ethylamino)-6H-[1,2,3]triazolo...)
Show SMILES CN(C)CCNc1ccc2nnn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C17H17N5O/c1-21(2)10-9-18-12-7-8-13-16-15(12)17(23)11-5-3-4-6-14(11)22(16)20-19-13/h3-8,18H,9-10H2,1-2H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309770
PNG
(5-(phenethylamino)-6H-[1,2,3]triazolo[4,5,1-de]acr...)
Show SMILES O=c1c2ccccc2n2nnc3ccc(NCCc4ccccc4)c1c23
Show InChI InChI=1S/C21H16N4O/c26-21-15-8-4-5-9-18(15)25-20-17(23-24-25)11-10-16(19(20)21)22-13-12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
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n/an/a 3.28E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair
NAD(P)H dehydrogenase [quinone] 1


(Homo sapiens (Human))
BDBM50309772
PNG
(8-methoxy-5-(phenethylamino)-6H-[1,2,3]triazolo[4,...)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCc3ccccc3)ccc3nnn2c13
Show InChI InChI=1S/C22H18N4O2/c1-28-15-7-10-19-16(13-15)22(27)20-17(8-9-18-21(20)26(19)25-24-18)23-12-11-14-5-3-2-4-6-14/h2-10,13,23H,11-12H2,1H3
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n/an/a 3.93E+3n/an/an/an/an/an/a



University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO1 by spectrophotometry


Bioorg Med Chem 18: 696-706 (2010)


Article DOI: 10.1016/j.bmc.2009.11.059
BindingDB Entry DOI: 10.7270/Q2CC10TZ
More data for this
Ligand-Target Pair