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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50043382   
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
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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88n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of human quinone reductase 2 using menadione/N-methyldihydronicotinamide as substrate after 10 mins by double-reciprocal plot ...


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440280
PNG
(CHEMBL489688)
Show SMILES COc1ccc(\C=C(\c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1OC
Show InChI InChI=1S/C18H14F6O2/c1-25-15-7-6-11(9-16(15)26-2)8-14(18(22,23)24)12-4-3-5-13(10-12)17(19,20)21/h3-10H,1-2H3/b14-8-
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n/an/a 180n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440268
PNG
(2-(3,5-Dimethoxystyryl)Naphthalene | CHEMBL473724)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C20H18O2/c1-21-19-12-16(13-20(14-19)22-2)8-7-15-9-10-17-5-3-4-6-18(17)11-15/h3-14H,1-2H3/b8-7+
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n/an/a 730n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247277
PNG
(4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...)
Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1
Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23933
PNG
(1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(F)cc2)c1
Show InChI InChI=1S/C16H15FO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
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n/an/a 4.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247278
PNG
(5-(1-(4-hydroxyphenyl)prop-1-en-2-yl)benzene-1,3-d...)
Show SMILES C\C(=C/c1ccc(O)cc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C15H14O3/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-9,16-18H,1H3/b10-6+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440277
PNG
(CHEMBL2426745)
Show SMILES OC\C(=C/c1cc(O)cc(O)c1)c1ccc(O)cc1
Show InChI InChI=1S/C15H14O4/c16-9-12(11-1-3-13(17)4-2-11)5-10-6-14(18)8-15(19)7-10/h1-8,16-19H,9H2/b12-5+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50131688
PNG
((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM76669
PNG
(3,4-dimethoxy-N-(2-naphthalenyl)benzamide | 3,4-di...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C19H17NO3/c1-22-17-10-8-15(12-18(17)23-2)19(21)20-16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,1-2H3,(H,20,21)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440265
PNG
(CHEMBL2426739)
Show SMILES COc1ccc(\C=C\c2ccc3ccccc3c2)cc1OC
Show InChI InChI=1S/C20H18O2/c1-21-19-12-10-16(14-20(19)22-2)8-7-15-9-11-17-5-3-4-6-18(17)13-15/h3-14H,1-2H3/b8-7+
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n/an/a 5.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440278
PNG
(CHEMBL2426744)
Show SMILES Oc1ccc(cc1)C(=C\c1cc(O)cc(O)c1)\C#N
Show InChI InChI=1S/C15H11NO3/c16-9-12(11-1-3-13(17)4-2-11)5-10-6-14(18)8-15(19)7-10/h1-8,17-19H/b12-5+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50045921
PNG
(3,4,4'-trihydroxy-trans-stilbene | 4-(4-hydroxysty...)
Show SMILES Oc1ccc(\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,15-17H/b2-1+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440282
PNG
(CHEMBL2426740)
Show SMILES COc1ccc(cc1)C(\C)=C\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H20O3/c1-13(15-6-8-16(19-2)9-7-15)11-14-5-10-17(20-3)18(12-14)21-4/h5-12H,1-4H3/b13-11+
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n/an/a 6.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440267
PNG
(CHEMBL473725)
Show SMILES COc1cccc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C17H18O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)17(12-14)20-3/h4-12H,1-3H3/b8-7+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
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 6.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440275
PNG
(CHEMBL2426747)
Show SMILES NC(=O)C(=C/c1cc(O)cc(O)c1)\c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO4/c16-15(20)14(10-1-3-11(17)4-2-10)7-9-5-12(18)8-13(19)6-9/h1-8,17-19H,(H2,16,20)/b14-7-
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n/an/a 9.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440270
PNG
(CHEMBL215432)
Show SMILES COc1ccc(\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O3/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10,16-17H,1H3/b3-2+
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n/an/a 9.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440281
PNG
(CHEMBL2426741)
Show SMILES COc1cc(OC)cc(\C=C(/C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C19H22O4/c1-13(15-6-7-18(22-4)19(11-15)23-5)8-14-9-16(20-2)12-17(10-14)21-3/h6-12H,1-5H3/b13-8+
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n/an/a 9.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50256049
PNG
(5-(1-(4-(dimethylamino)phenyl)but-1-en-2-yl)benzen...)
Show SMILES CC\C(=C/c1ccc(cc1)N(C)C)c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H21NO2/c1-4-14(15-10-17(20)12-18(21)11-15)9-13-5-7-16(8-6-13)19(2)3/h5-12,20-21H,4H2,1-3H3/b14-9+
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n/an/a 1.09E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247186
PNG
(5-(2-(4-methoxyphenyl)prop-1-enyl)benzene-1,3-diol...)
Show SMILES COc1ccc(cc1)C(\C)=C\c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H16O3/c1-11(13-3-5-16(19-2)6-4-13)7-12-8-14(17)10-15(18)9-12/h3-10,17-18H,1-2H3/b11-7+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440266
PNG
(CHEMBL474126)
Show SMILES COc1ccc(\C=C\c2ccc(cc2)N(C)C)cc1OC
Show InChI InChI=1S/C18H21NO2/c1-19(2)16-10-7-14(8-11-16)5-6-15-9-12-17(20-3)18(13-15)21-4/h5-13H,1-4H3/b6-5+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247233
PNG
(1,3-dimethoxy-5-(3,3,3-trifluoro-1-(4-methoxypheny...)
Show SMILES COc1ccc(\C=C(\c2cc(OC)cc(OC)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H17F3O3/c1-22-14-6-4-12(5-7-14)8-17(18(19,20)21)13-9-15(23-2)11-16(10-13)24-3/h4-11H,1-3H3/b17-8-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440269
PNG
(CHEMBL474264)
Show SMILES Oc1ccc(\C=C\c2ccc(cc2)C(F)(F)F)cc1O
Show InChI InChI=1S/C15H11F3O2/c16-15(17,18)12-6-3-10(4-7-12)1-2-11-5-8-13(19)14(20)9-11/h1-9,19-20H/b2-1+
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n/an/a 1.42E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 1.46E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440279
PNG
(CHEMBL470939)
Show SMILES CC\C(=C/c1cc(OC)cc(OC)c1)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H24O4/c1-6-15(16-7-8-19(23-4)20(12-16)24-5)9-14-10-17(21-2)13-18(11-14)22-3/h7-13H,6H2,1-5H3/b15-9+
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n/an/a 1.63E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440271
PNG
(CHEMBL2426751)
Show SMILES Oc1ccc(cc1)C(=O)Nc1cc(O)cc(O)c1
Show InChI InChI=1S/C13H11NO4/c15-10-3-1-8(2-4-10)13(18)14-9-5-11(16)7-12(17)6-9/h1-7,15-17H,(H,14,18)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440283
PNG
(CHEMBL474936)
Show SMILES COc1ccc(cc1)C(\C)=C\c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H20O3/c1-13(15-5-7-16(19-2)8-6-15)9-14-10-17(20-3)12-18(11-14)21-4/h5-12H,1-4H3/b13-9+
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n/an/a 2.01E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247182
PNG
(4-(3-fluorostyryl)benzene-1,2-diol | CHEMBL464755)
Show SMILES Oc1ccc(\C=C\c2cccc(F)c2)cc1O
Show InChI InChI=1S/C14H11FO2/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)14(17)9-11/h1-9,16-17H/b5-4+
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n/an/a 2.08E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440276
PNG
(CHEMBL2426746)
Show SMILES COc1ccc(cc1)C(\C=O)=C\c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H18O4/c1-20-16-6-4-14(5-7-16)15(12-19)8-13-9-17(21-2)11-18(10-13)22-3/h4-12H,1-3H3/b15-8+
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n/an/a 2.42E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440274
PNG
(CHEMBL2426748)
Show SMILES Oc1ccc(cc1)C(\C=O)=C/c1cc(O)cc(O)c1
Show InChI InChI=1S/C15H12O4/c16-9-12(11-1-3-13(17)4-2-11)5-10-6-14(18)8-15(19)7-10/h1-9,17-19H/b12-5-
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n/an/a 2.55E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440273
PNG
(CHEMBL2426749)
Show SMILES COc1ccc(cc1)C(\CO)=C/c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H20O4/c1-20-16-6-4-14(5-7-16)15(12-19)8-13-9-17(21-2)11-18(10-13)22-3/h4-11,19H,12H2,1-3H3/b15-8-
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n/an/a 2.75E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50440272
PNG
(CHEMBL2426750)
Show SMILES Oc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C13H11NO4/c15-10-3-1-9(2-4-10)14-13(18)8-5-11(16)7-12(17)6-8/h1-7,15-17H,(H,14,18)
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n/an/a 2.76E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50145707
PNG
((Z)-3-(3,5-Dimethoxy-phenyl)-2-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)C(=C\c1cc(OC)cc(OC)c1)\C#N
Show InChI InChI=1S/C18H17NO3/c1-20-16-6-4-14(5-7-16)15(12-19)8-13-9-17(21-2)11-18(10-13)22-3/h4-11H,1-3H3/b15-8+
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n/an/a 3.16E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247189
PNG
(5-(2-(3,4-dimethoxyphenyl)prop-1-enyl)benzene-1,3-...)
Show SMILES COc1ccc(cc1OC)C(\C)=C\c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H18O4/c1-11(6-12-7-14(18)10-15(19)8-12)13-4-5-16(20-2)17(9-13)21-3/h4-10,18-19H,1-3H3/b11-6+
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n/an/a 3.37E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50085526
PNG
((E)-3,5,30,40-Tetramethoxystilbene | 4-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 3.71E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50247226
PNG
(5-(2-(4-hydroxyphenyl)prop-1-enyl)benzene-1,3-diol...)
Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1ccc(O)cc1
Show InChI InChI=1S/C15H14O3/c1-10(12-2-4-13(16)5-3-12)6-11-7-14(17)9-15(18)8-11/h2-9,16-18H,1H3/b10-6+
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n/an/a 3.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
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/an/a 54n/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to human quinone reductase 2 by ITC analysis


Bioorg Med Chem 21: 6022-37 (2013)


Article DOI: 10.1016/j.bmc.2013.07.037
BindingDB Entry DOI: 10.7270/Q21R6RX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)