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Compile Data Set for Download or QSAR

Found 15 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
Dihydroorotase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Dihydroorotase


(Homo sapiens)
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/an/an/a



Mayo Clinic & Foundation

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Dihydroorotase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Dihydroorotase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Dihydroorotase


(Homo sapiens)
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/an/an/a



Mayo Clinic & Foundation

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotase (DHO)


(Escherichia coli)
BDBM85254
PNG
(4,6-dioxo-piperidine-2-carboxylic acid, 3)
Show SMILES [O-]C(=O)[C@@H]1CC(=O)CC(=O)N1
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)

More data for this
Ligand-Target Pair
Dihydroorotase (DHO)


(Escherichia coli)
BDBM85254
PNG
(4,6-dioxo-piperidine-2-carboxylic acid, 3)
Show SMILES [O-]C(=O)[C@@H]1CC(=O)CC(=O)N1
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)

More data for this
Ligand-Target Pair
Dihydroorotase (DHO)


(Escherichia coli)
BDBM85254
PNG
(4,6-dioxo-piperidine-2-carboxylic acid, 3)
Show SMILES [O-]C(=O)[C@@H]1CC(=O)CC(=O)N1
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)

More data for this
Ligand-Target Pair
Dihydroorotase (PyrC)


(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
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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Article
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n/an/a>1.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Dihydroorotase (PyrC)


(Bacillus anthracis (Firmicute))
BDBM154573
PNG
(8-(trifluoromethyl)-9H-purin-6-amine (4))
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/an/an/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)

More data for this
Ligand-Target Pair
Dihydroorotase


(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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotase


(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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotase


(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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotase


(Mus musculus)
BDBM50405109
PNG
(CHEMBL1627199)
Show SMILES CS1(=O)=NC(=O)NC(=C1)C(O)=O
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/an/an/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


Citation and Details
More data for this
Ligand-Target Pair