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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotase'   
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
CAD protein


(Homo sapiens (Human))
BDBM50010599
PNG
(6-Mercaptomethyl-2-oxo-2,3,4,5-tetrahydro-pyrimidi...)
Show SMILES OC(=O)C1CC(NC(=O)N1)C=S
Show InChI InChI=1S/C6H8N2O3S/c9-5(10)4-1-3(2-12)7-6(11)8-4/h2-4H,1H2,(H,9,10)(H2,7,8,11)
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140n/an/an/an/an/an/a7.4n/a



Mayo Clinic & Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydroorotase (DHO) at pH 7.4 and 8.5


J Med Chem 33: 819-23 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC81VR
More data for this
Ligand-Target Pair
CAD protein


(Homo sapiens (Human))
BDBM50020110
PNG
((4S,6R)-6-Mercaptomethyl-2-oxo-hexahydro-pyrimidin...)
Show SMILES OC(=O)[C@@H]1C[C@H](CS)NC(=O)N1
Show InChI InChI=1S/C6H10N2O3S/c9-5(10)4-1-3(2-12)7-6(11)8-4/h3-4,12H,1-2H2,(H,9,10)(H2,7,8,11)/t3-,4+/m1/s1
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140n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.


J Med Chem 41: 4550-5 (1998)


Article DOI: 10.1021/jm970814z
BindingDB Entry DOI: 10.7270/Q26D5S58
More data for this
Ligand-Target Pair
CAD protein


(Homo sapiens (Human))
BDBM50291969
PNG
((2R,4S)-4-Mercapto-4,6-dioxo-4lambda*5*-[1,4]azaph...)
Show SMILES OC(=O)[C@H]1NC(=O)CP(O)(S)=C1
Show InChI InChI=1S/C5H8NO4PS/c7-4-2-11(10,12)1-3(6-4)5(8)9/h1,3,10,12H,2H2,(H,6,7)(H,8,9)/t3-,11?/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.


J Med Chem 41: 4550-5 (1998)


Article DOI: 10.1021/jm970814z
BindingDB Entry DOI: 10.7270/Q26D5S58
More data for this
Ligand-Target Pair
CAD protein


(Homo sapiens (Human))
BDBM50291969
PNG
((2R,4S)-4-Mercapto-4,6-dioxo-4lambda*5*-[1,4]azaph...)
Show SMILES OC(=O)[C@H]1NC(=O)CP(O)(S)=C1
Show InChI InChI=1S/C5H8NO4PS/c7-4-2-11(10,12)1-3(6-4)5(8)9/h1,3,10,12H,2H2,(H,6,7)(H,8,9)/t3-,11?/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.


J Med Chem 41: 4550-5 (1998)


Article DOI: 10.1021/jm970814z
BindingDB Entry DOI: 10.7270/Q26D5S58
More data for this
Ligand-Target Pair
CAD protein


(Homo sapiens (Human))
BDBM50067883
PNG
(4-Hydroxy-4,6-dioxo-4lambda*5*-[1,4]azaphosphinane...)
Show SMILES OC(=O)C1NC(=O)CP(O)(O)=C1
Show InChI InChI=1S/C5H8NO5P/c7-4-2-12(10,11)1-3(6-4)5(8)9/h1,3,10-11H,2H2,(H,6,7)(H,8,9)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.


J Med Chem 41: 4550-5 (1998)


Article DOI: 10.1021/jm970814z
BindingDB Entry DOI: 10.7270/Q26D5S58
More data for this
Ligand-Target Pair
CAD protein


(Homo sapiens (Human))
BDBM50010600
PNG
(CHEMBL168878 | Ethyl-3-borono-2-(carbamylamino)pro...)
Show SMILES CCOC(=O)C(CB(O)O)NC(N)=O
Show InChI InChI=1S/C6H13BN2O5/c1-2-14-5(10)4(3-7(12)13)9-6(8)11/h4,12-13H,2-3H2,1H3,(H3,8,9,11)
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5.07E+3n/an/an/an/an/an/a7.4n/a



Mayo Clinic & Foundation

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydroorotase (DHO) at pH 6.0


J Med Chem 33: 819-23 (1990)


BindingDB Entry DOI: 10.7270/Q2ZC81VR
More data for this
Ligand-Target Pair
Dihydroorotase


(Escherichia coli)
BDBM85254
PNG
(4,6-dioxo-piperidine-2-carboxylic acid, 3)
Show SMILES [O-]C(=O)[C@@H]1CC(=O)CC(=O)N1 |r|
Show InChI InChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)/p-1/t4-/m0/s1
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7.60E+7n/an/an/an/an/an/a7.0n/a



Texas A&M University



Assay Description
The DHO-catalyzed hydrolysis of dihydrooroate was monitored spectrophotoetrically at 230 and 280 nm using a SPECTRAmax (Molecular Device) plate reade...


Bioorg Chem 33: 470-83 (2005)


Article DOI: 10.1016/j.bioorg.2005.08.001
BindingDB Entry DOI: 10.7270/Q2X065MD
More data for this
Ligand-Target Pair
Dihydroorotase


(Escherichia coli)
BDBM85254
PNG
(4,6-dioxo-piperidine-2-carboxylic acid, 3)
Show SMILES [O-]C(=O)[C@@H]1CC(=O)CC(=O)N1 |r|
Show InChI InChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)/p-1/t4-/m0/s1
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2.10E+8n/an/an/an/an/an/a8.0n/a



Texas A&M University



Assay Description
The DHO-catalyzed hydrolysis of dihydrooroate was monitored spectrophotoetrically at 230 and 280 nm using a SPECTRAmax (Molecular Device) plate reade...


Bioorg Chem 33: 470-83 (2005)


Article DOI: 10.1016/j.bioorg.2005.08.001
BindingDB Entry DOI: 10.7270/Q2X065MD
More data for this
Ligand-Target Pair
Dihydroorotase


(Escherichia coli)
BDBM85254
PNG
(4,6-dioxo-piperidine-2-carboxylic acid, 3)
Show SMILES [O-]C(=O)[C@@H]1CC(=O)CC(=O)N1 |r|
Show InChI InChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)/p-1/t4-/m0/s1
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4.40E+8n/an/an/an/an/an/a9.0n/a



Texas A&M University



Assay Description
The DHO-catalyzed hydrolysis of dihydrooroate was monitored spectrophotoetrically at 230 and 280 nm using a SPECTRAmax (Molecular Device) plate reade...


Bioorg Chem 33: 470-83 (2005)


Article DOI: 10.1016/j.bioorg.2005.08.001
BindingDB Entry DOI: 10.7270/Q2X065MD
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)
Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F
Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Illinois at Chicago



Assay Description
The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...


ACS Chem Biol 10: 1456-65 (2015)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2086426
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50007789
PNG
(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)
Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Illinois at Chicago



Assay Description
The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...


ACS Chem Biol 10: 1456-65 (2015)


Article DOI: 10.1021/cb500917m
BindingDB Entry DOI: 10.7270/Q2086426
More data for this
Ligand-Target Pair
CAD protein


(Mus musculus)
BDBM50405110
PNG
(CHEMBL306140)
Show SMILES OC(=O)C1CS(=O)CC(=O)N1
Show InChI InChI=1S/C5H7NO4S/c7-4-2-11(10)1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
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n/an/a 1.80E+5n/an/an/an/a7.37n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37


J Med Chem 27: 228-32 (1984)


BindingDB Entry DOI: 10.7270/Q2K938QV
More data for this
Ligand-Target Pair
CAD protein


(Mus musculus)
BDBM50405111
PNG
(CHEMBL73819)
Show SMILES OC(=O)C1CS(=O)(=O)NC(=O)N1
Show InChI InChI=1S/C4H6N2O5S/c7-3(8)2-1-12(10,11)6-4(9)5-2/h2H,1H2,(H,7,8)(H2,5,6,9)
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n/an/a 5.20E+5n/an/an/an/a7.37n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37


J Med Chem 27: 228-32 (1984)


BindingDB Entry DOI: 10.7270/Q2K938QV
More data for this
Ligand-Target Pair
CAD protein


(Mus musculus)
BDBM50405112
PNG
(CHEMBL308628)
Show SMILES NC(=O)NC(CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C4H9N2O6P/c5-4(9)6-2(3(7)8)1-13(10,11)12/h2H,1H2,(H,7,8)(H3,5,6,9)(H2,10,11,12)
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n/an/a>1.00E+6n/an/an/an/a7.37n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37


J Med Chem 27: 228-32 (1984)


BindingDB Entry DOI: 10.7270/Q2K938QV
More data for this
Ligand-Target Pair
CAD protein


(Mus musculus)
BDBM50405109
PNG
(CHEMBL1627199)
Show SMILES CS1(=O)=NC(=O)NC(=C1)C(O)=O |c:7|
Show InChI InChI=1S/C5H8N2O4S/c1-12(11)2-3(4(8)9)6-5(10)7-12/h2,12H,1H3,(H,8,9)(H2,6,7,10,11)
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n/an/a>1.00E+6n/an/an/an/a7.37n/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37


J Med Chem 27: 228-32 (1984)


BindingDB Entry DOI: 10.7270/Q2K938QV
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536769
PNG
(CHEMBL4574809)
Show SMILES COc1ccc2[nH]c3c(CCNC3(NC#N)SC)c2c1
Show InChI InChI=1S/C14H16N4OS/c1-19-9-3-4-12-11(7-9)10-5-6-16-14(20-2,17-8-15)13(10)18-12/h3-4,7,16-18H,5-6H2,1-2H3
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n/an/an/a 2.10E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536776
PNG
(CHEMBL4580574)
Show SMILES Cn1ccc2c(CO)cccc12
Show InChI InChI=1S/C10H11NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-6,12H,7H2,1H3
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n/an/an/a 6.70E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50136492
PNG
(6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...)
Show SMILES COc1ccc2[nH]c3CNCCc3c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
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n/an/an/a 5.88E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50136492
PNG
(6-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline | 6...)
Show SMILES COc1ccc2[nH]c3CNCCc3c2c1
Show InChI InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
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n/an/an/a 6.75E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536774
PNG
(CHEMBL4560356)
Show SMILES CSC1(NC#N)NCCc2c1[nH]c1ccc(F)cc21
Show InChI InChI=1S/C13H13FN4S/c1-19-13(17-7-15)12-9(4-5-16-13)10-6-8(14)2-3-11(10)18-12/h2-3,6,16-18H,4-5H2,1H3
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n/an/an/a 6.70E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536775
PNG
(CHEMBL4572519)
Show SMILES COc1ccc2[nH]c3c(CCNC33CCOCC3)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-19-11-2-3-14-13(10-11)12-4-7-17-16(15(12)18-14)5-8-20-9-6-16/h2-3,10,17-18H,4-9H2,1H3
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n/an/an/a 3.14E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536775
PNG
(CHEMBL4572519)
Show SMILES COc1ccc2[nH]c3c(CCNC33CCOCC3)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-19-11-2-3-14-13(10-11)12-4-7-17-16(15(12)18-14)5-8-20-9-6-16/h2-3,10,17-18H,4-9H2,1H3
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n/an/an/a 3.80E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50495373
PNG
(CHEMBL3110262)
Show SMILES COc1ccc2[nH]c3CCN(Cc3c2c1)C(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-9(17)16-6-5-14-12(8-16)11-7-10(18-2)3-4-13(11)15-14/h3-4,7,15H,5-6,8H2,1-2H3
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n/an/an/a 2.15E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536774
PNG
(CHEMBL4560356)
Show SMILES CSC1(NC#N)NCCc2c1[nH]c1ccc(F)cc21
Show InChI InChI=1S/C13H13FN4S/c1-19-13(17-7-15)12-9(4-5-16-13)10-6-8(14)2-3-11(10)18-12/h2-3,6,16-18H,4-5H2,1H3
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n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536771
PNG
(CHEMBL1518262)
Show SMILES CCC(=O)Nc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C11H15NO3/c1-4-11(13)12-8-5-9(14-2)7-10(6-8)15-3/h5-7H,4H2,1-3H3,(H,12,13)
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n/an/an/a 2.81E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50495373
PNG
(CHEMBL3110262)
Show SMILES COc1ccc2[nH]c3CCN(Cc3c2c1)C(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-9(17)16-6-5-14-12(8-16)11-7-10(18-2)3-4-13(11)15-14/h3-4,7,15H,5-6,8H2,1-2H3
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n/an/an/a 2.05E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536773
PNG
(CHEMBL4532317)
Show SMILES CCS(=O)(=O)N(C)c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C14H20N2O3S/c1-3-20(18,19)15(2)13-8-6-12(7-9-13)14(17)16-10-4-5-11-16/h6-9H,3-5,10-11H2,1-2H3
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n/an/an/a 6.70E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536772
PNG
(CHEMBL1604422)
Show SMILES CCC(=O)Nc1ccc(OC)cc1OC
Show InChI InChI=1S/C11H15NO3/c1-4-11(13)12-9-6-5-8(14-2)7-10(9)15-3/h5-7H,4H2,1-3H3,(H,12,13)
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n/an/an/a 1.70E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536771
PNG
(CHEMBL1518262)
Show SMILES CCC(=O)Nc1cc(OC)cc(OC)c1
Show InChI InChI=1S/C11H15NO3/c1-4-11(13)12-8-5-9(14-2)7-10(6-8)15-3/h5-7H,4H2,1-3H3,(H,12,13)
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n/an/an/a 1.57E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536770
PNG
(CHEMBL4580389)
Show SMILES CCC1NCCn2cccc12
Show InChI InChI=1S/C9H14N2/c1-2-8-9-4-3-6-11(9)7-5-10-8/h3-4,6,8,10H,2,5,7H2,1H3
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n/an/an/a 6.70E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analy...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536772
PNG
(CHEMBL1604422)
Show SMILES CCC(=O)Nc1ccc(OC)cc1OC
Show InChI InChI=1S/C11H15NO3/c1-4-11(13)12-9-6-5-8(14-2)7-10(9)15-3/h5-7H,4H2,1-3H3,(H,12,13)
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n/an/an/a 1.70E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair
Dihydroorotase


(Bacillus anthracis (Firmicute))
BDBM50536769
PNG
(CHEMBL4574809)
Show SMILES COc1ccc2[nH]c3c(CCNC3(NC#N)SC)c2c1
Show InChI InChI=1S/C14H16N4OS/c1-19-9-3-4-12-11(7-9)10-5-6-16-14(20-2,17-8-15)13(10)18-12/h3-4,7,16-18H,5-6H2,1-2H3
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n/an/an/a 1.44E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspart...


Bioorg Med Chem 24: 4536-4543 (2016)


Article DOI: 10.1016/j.bmc.2016.07.055
BindingDB Entry DOI: 10.7270/Q28G8Q6B
More data for this
Ligand-Target Pair