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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'asolkar' and Initial = 'rn'   
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))
BDBM50347488
PNG
(CHEMBL1802205)
Show SMILES COc1cc(Br)c(Br)c2nc3ccccc3nc12
Show InChI InChI=1S/C13H8Br2N2O/c1-18-10-6-7(14)11(15)13-12(10)16-8-4-2-3-5-9(8)17-13/h2-6H,1H3
PDB
MMDB

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n/an/a 160n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347486
PNG
(CHEMBL1802199)
Show SMILES COc1c(Br)ccc2nc3ccccc3nc12
Show InChI InChI=1S/C13H9BrN2O/c1-17-13-8(14)6-7-11-12(13)16-10-5-3-2-4-9(10)15-11/h2-7H,1H3
PDB
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n/an/a 186n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347476
PNG
(CHEMBL1802264)
Show SMILES [O-][N+](=O)c1cc(Br)c2nc3ccccc3nc2c1
Show InChI InChI=1S/C12H6BrN3O2/c13-8-5-7(16(17)18)6-11-12(8)15-10-4-2-1-3-9(10)14-11/h1-6H
PDB
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n/an/a 320n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347471
PNG
(CHEMBL1802260)
Show SMILES Cc1cc(Br)cc2nc3ccccc3nc12
Show InChI InChI=1S/C13H9BrN2/c1-8-6-9(14)7-12-13(8)16-11-5-3-2-4-10(11)15-12/h2-7H,1H3
PDB
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n/an/a 450n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347482
PNG
(CHEMBL1802271)
Show SMILES Oc1cccc2nc3cc(Cl)c(Cl)cc3nc12
Show InChI InChI=1S/C12H6Cl2N2O/c13-6-4-9-10(5-7(6)14)16-12-8(15-9)2-1-3-11(12)17/h1-5,17H
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n/an/a 480n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347468
PNG
(CHEMBL1802203)
Show SMILES COc1cc(Br)cc2nc3ccccc3nc12
Show InChI InChI=1S/C13H9BrN2O/c1-17-12-7-8(14)6-11-13(12)16-10-5-3-2-4-9(10)15-11/h2-7H,1H3
PDB
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n/an/a 690n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347469
PNG
(CHEMBL1802258)
Show SMILES Oc1cc(Br)c(Br)c2nc3ccccc3nc12
Show InChI InChI=1S/C12H6Br2N2O/c13-6-5-9(17)11-12(10(6)14)16-8-4-2-1-3-7(8)15-11/h1-5,17H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347484
PNG
(CHEMBL1802277)
Show SMILES Cc1nc2c(Br)cc(Br)c(O)c2nc1C
Show InChI InChI=1S/C10H8Br2N2O/c1-4-5(2)14-9-8(13-4)6(11)3-7(12)10(9)15/h3,15H,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347472
PNG
(CHEMBL1802261)
Show SMILES Brc1cc(Br)c2nc3ccccc3nc2c1
Show InChI InChI=1S/C12H6Br2N2/c13-7-5-8(14)12-11(6-7)15-9-3-1-2-4-10(9)16-12/h1-6H
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n/an/a 3.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347483
PNG
(CHEMBL1802272)
Show SMILES COc1cccc2nc3cc4ccccc4cc3nc12
Show InChI InChI=1S/C17H12N2O/c1-20-16-8-4-7-13-17(16)19-15-10-12-6-3-2-5-11(12)9-14(15)18-13/h2-10H,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347481
PNG
(CHEMBL1802270)
Show SMILES COc1cc(Br)c(Br)c2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H12Br2N2O/c1-7-4-10-11(5-8(7)2)19-15-13(17)9(16)6-12(20-3)14(15)18-10/h4-6H,1-3H3
PDB
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n/an/a 4.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347479
PNG
(CHEMBL1802267)
Show SMILES COc1cccc2nc3cc(Cl)c(Cl)cc3nc12
Show InChI InChI=1S/C13H8Cl2N2O/c1-18-12-4-2-3-9-13(12)17-11-6-8(15)7(14)5-10(11)16-9/h2-6H,1H3
PDB
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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 QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Homo sapiens (Human))
BDBM50476063
PNG
(SALINIKETAL A)
Show SMILES [H][C@]12CC[C@@](C)(O1)O[C@@]([H])([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(\C)C(N)=O)[C@@H]2C |r|
Show InChI InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,12,14-20,24-25H,10-11H2,1-6H3,(H2,23,26)/b8-7+,13-9-/t12-,14+,15+,16+,17+,18-,19+,20+,22-/m0/s1
PDB
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NCI pathway
Reactome pathway
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n/an/a 5.05E+3n/an/an/an/an/an/a



University of California - San Diego

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced ornithine decarboxylase expressed in T24 cells


J Nat Prod 70: 83-8 (2007)


Article DOI: 10.1021/np0604580
BindingDB Entry DOI: 10.7270/Q2W098PC
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347478
PNG
(CHEMBL1802266)
Show SMILES COc1cc(Br)cc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H13BrN2O/c1-8-4-11-12(5-9(8)2)18-15-13(17-11)6-10(16)7-14(15)19-3/h4-7H,1-3H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347489
PNG
(CHEMBL1802273)
Show SMILES c1ccc2cc3nc4ccccc4nc3cc2c1
Show InChI InChI=1S/C16H10N2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h1-10H
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n/an/a 1.12E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347480
PNG
(CHEMBL1802269)
Show SMILES COc1ccc(Br)c2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H13BrN2O/c1-8-6-11-12(7-9(8)2)18-15-13(19-3)5-4-10(16)14(15)17-11/h4-7H,1-3H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM81111
PNG
(1-methoxy-7,8-dimethyl-phenazine | 1-methoxy-7,8-d...)
Show SMILES COc1cccc2nc3cc(C)c(C)cc3nc12
Show InChI InChI=1S/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15-11(16-12)5-4-6-14(15)18-3/h4-8H,1-3H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347470
PNG
(CHEMBL1802259)
Show SMILES Cc1cc2nc3ccccc3nc2cc1C
Show InChI InChI=1S/C14H12N2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13/h3-8H,1-2H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347474
PNG
(CHEMBL1420181)
Show SMILES COc1ccc2nc3ccccc3nc2c1
Show InChI InChI=1S/C13H10N2O/c1-16-9-6-7-12-13(8-9)15-11-5-3-2-4-10(11)14-12/h2-8H,1H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347475
PNG
(CHEMBL1802263)
Show SMILES COc1cc2nc3ccccc3nc2cc1OC
Show InChI InChI=1S/C14H12N2O2/c1-17-13-7-11-12(8-14(13)18-2)16-10-6-4-3-5-9(10)15-11/h3-8H,1-2H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347487
PNG
(CHEMBL1802200)
Show SMILES COc1c(Br)cc(Br)c2nc3ccccc3nc12
Show InChI InChI=1S/C13H8Br2N2O/c1-18-13-8(15)6-7(14)11-12(13)17-10-5-3-2-4-9(10)16-11/h2-6H,1H3
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n/an/a 1.85E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ornithine decarboxylase


(Homo sapiens (Human))
BDBM50476064
PNG
(SALINIKETAL B)
Show SMILES [H][C@]12CC[C@@](C)(O1)O[C@@]([H])([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(\CO)C(N)=O)[C@@H]2C |r|
Show InChI InChI=1S/C22H37NO6/c1-12(7-6-8-16(11-24)21(23)27)18(25)14(3)19(26)15(4)20-13(2)17-9-10-22(5,28-17)29-20/h6-8,12-15,17-20,24-26H,9-11H2,1-5H3,(H2,23,27)/b7-6+,16-8-/t12-,13+,14+,15+,17+,18-,19+,20+,22-/m0/s1
PDB
MMDB

NCI pathway
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n/an/a 1.89E+4n/an/an/an/an/an/a



University of California - San Diego

Curated by ChEMBL


Assay Description
Inhibition of TPA-induced ornithine decarboxylase expressed in T24 cells


J Nat Prod 70: 83-8 (2007)


Article DOI: 10.1021/np0604580
BindingDB Entry DOI: 10.7270/Q2W098PC
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347467
PNG
(CHEMBL1802202)
Show SMILES Oc1ccc(Br)c2nc3ccccc3nc12
Show InChI InChI=1S/C12H7BrN2O/c13-7-5-6-10(16)12-11(7)14-8-3-1-2-4-9(8)15-12/h1-6,16H
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n/an/a 2.69E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347485
PNG
(CHEMBL1802197)
Show SMILES COc1cccc2nc3ccccc3nc12
Show InChI InChI=1S/C13H10N2O/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11/h2-8H,1H3
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n/an/a 3.11E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347477
PNG
(CHEMBL1802265)
Show SMILES COc1ccc(OC)c2nc3ccccc3nc12
Show InChI InChI=1S/C14H12N2O2/c1-17-11-7-8-12(18-2)14-13(11)15-9-5-3-4-6-10(9)16-14/h3-8H,1-2H3
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n/an/a 3.55E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347466
PNG
(CHEMBL1802201)
Show SMILES COc1ccc(Br)c2nc3ccccc3nc12
Show InChI InChI=1S/C13H9BrN2O/c1-17-11-7-6-8(14)12-13(11)16-10-5-3-2-4-9(10)15-12/h2-7H,1H3
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n/an/a 3.68E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50347473
PNG
(CHEMBL1802262)
Show SMILES Cc1ccc2nc3ccccc3nc2c1
Show InChI InChI=1S/C13H10N2/c1-9-6-7-12-13(8-9)15-11-5-3-2-4-10(11)14-12/h2-8H,1H3
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n/an/a 6.08E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation


J Med Chem 53: 8688-99 (2010)


Article DOI: 10.1021/jm1011066
BindingDB Entry DOI: 10.7270/Q2TB178C
More data for this
Ligand-Target Pair