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13 molecules are shown

Wt: 364.4
BDBM50008344
Wt: 350.4
BDBM50008347
Purchase
Wt: 364.4
BDBM50008351
Wt: 336.3
BDBM50008352
Wt: 378.4
BDBM50008356
Wt: 334.4
BDBM50317132
Wt: 306.3
BDBM50317133
Wt: 410.4
BDBM50317140
Wt: 352.3
BDBM50354527
Wt: 336.3
BDBM50354528
Wt: 350.4
BDBM50354530
Wt: 338.3
BDBM50354535
Wt: 366.4
BDBM50354536

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50008344,50008347,50008351,50008352,50008356,50317132,50317133,50317140,50354527,50354528,50354530,50354535,50354536   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-glucuronosyltransferase 1-9


(Homo sapiens)
BDBM50008347
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
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PubMed
9.58E+5n/an/an/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A9 activity expressed in baculovirus-infected Sf9 cells


Drug Metab Dispos 40: 1736-43 (2012)


Article DOI: 10.1124/dmd.112.045401
BindingDB Entry DOI: 10.7270/Q25H7J0M
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354527
PNG
(CHEMBL1836819)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c13
Show InChI InChI=1S/C19H20N4O3/c1-23(2,25)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(26-3)4-7-16(13)22(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354535
PNG
(CHEMBL1836822)
Show SMILES C[N+](C)([O-])CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C18H18N4O3/c1-22(2,25)8-7-19-13-4-5-14-17-16(13)18(24)12-9-11(23)3-6-15(12)21(17)10-20-14/h3-6,9-10,19,23H,7-8H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354536
PNG
(CHEMBL1836823)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nc(C)n2c13
Show InChI InChI=1S/C20H22N4O3/c1-12-22-16-7-6-15(21-9-10-24(2,3)26)18-19(16)23(12)17-8-5-13(27-4)11-14(17)20(18)25/h5-8,11,21H,9-10H2,1-4H3
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n/an/a 73n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50317133
PNG
(5-(2-(dimethylamino)ethylamino)-6H-imidazo[4,5,1-d...)
Show SMILES CN(C)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C18H18N4O/c1-21(2)10-9-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)11-20-14/h3-8,11,19H,9-10H2,1-2H3
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n/an/a 115n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354527
PNG
(CHEMBL1836819)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c13
Show InChI InChI=1S/C19H20N4O3/c1-23(2,25)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(26-3)4-7-16(13)22(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a 98n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry in the presence of 2 uM BSA


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008344
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-1-methyl-...)
Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3
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n/an/a 54n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008347
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
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n/an/a 126n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008352
PNG
(5-(2-(dimethylamino)ethylamino)-8-hydroxy-1-methyl...)
Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C19H20N4O2/c1-11-21-15-6-5-14(20-8-9-22(2)3)17-18(15)23(11)16-7-4-12(24)10-13(16)19(17)25/h4-7,10,20,24H,8-9H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354528
PNG
(CHEMBL125750)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3ncn2c13
Show InChI InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a 59n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50317132
PNG
(5-(2-(diethylamino)ethylamino)-6H-imidazo[4,5,1-de...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C20H22N4O/c1-3-23(4-2)12-11-21-15-9-10-16-19-18(15)20(25)14-7-5-6-8-17(14)24(19)13-22-16/h5-10,13,21H,3-4,11-12H2,1-2H3
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n/an/a 427n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008352
PNG
(5-(2-(dimethylamino)ethylamino)-8-hydroxy-1-methyl...)
Show SMILES CN(C)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C19H20N4O2/c1-11-21-15-6-5-14(20-8-9-22(2)3)17-18(15)23(11)16-7-4-12(24)10-13(16)19(17)25/h4-7,10,20,24H,8-9H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008356
PNG
(5-(2-(diethylamino)ethylamino)-8-methoxy-1-methyl-...)
Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(OC)ccc31
Show InChI InChI=1S/C22H26N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18/h7-10,13,23H,5-6,11-12H2,1-4H3
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n/an/a 9n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50317133
PNG
(5-(2-(dimethylamino)ethylamino)-6H-imidazo[4,5,1-d...)
Show SMILES CN(C)CCNc1ccc2ncn3c2c1c(=O)c1ccccc31
Show InChI InChI=1S/C18H18N4O/c1-21(2)10-9-19-13-7-8-14-17-16(13)18(23)12-5-3-4-6-15(12)22(17)11-20-14/h3-8,11,19H,9-10H2,1-2H3
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n/an/a 830n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50317140
PNG
(5-(2-(diethylamino)ethylamino)-7-hydroxy-8,9-dimet...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)c(OC)c(OC)cc31
Show InChI InChI=1S/C22H26N4O4/c1-5-25(6-2)10-9-23-13-7-8-14-19-17(13)20(27)18-15(26(19)12-24-14)11-16(29-3)22(30-4)21(18)28/h7-8,11-12,23,28H,5-6,9-10H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008347
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
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n/an/a 148n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008344
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-1-methyl-...)
Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50008351
PNG
(5-(2-(diethylamino)ethylamino)-8-methoxy-6H-imidaz...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(OC)ccc31
Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(26)15-12-14(27-3)6-9-18(15)25(20)13-23-17/h6-9,12-13,22H,4-5,10-11H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



the University of Manchester and Manchester Cancer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


Bioorg Med Chem Lett 20: 2832-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.051
BindingDB Entry DOI: 10.7270/Q2FB533K
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354530
PNG
(CHEMBL340884)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nc(C)n2c13
Show InChI InChI=1S/C20H22N4O2/c1-12-22-16-7-6-15(21-9-10-23(2)3)18-19(16)24(12)17-8-5-13(26-4)11-14(17)20(18)25/h5-8,11,21H,9-10H2,1-4H3
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n/an/a 46n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50354528
PNG
(CHEMBL125750)
Show SMILES COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3ncn2c13
Show InChI InChI=1S/C19H20N4O2/c1-22(2)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(25-3)4-7-16(13)23(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3
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PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry in the presence of 2 uM BSA


J Med Chem 54: 6597-611 (2011)


Article DOI: 10.1021/jm200416e
BindingDB Entry DOI: 10.7270/Q21Z44TH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)