BindingDB logo
myBDB logout
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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm00164a055
BindingDB Entry DOI: 10.7270/Q2ZC81VR
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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm00164a055
BindingDB Entry DOI: 10.7270/Q2ZC81VR
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 (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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 (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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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 (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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
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 (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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
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


(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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm00368a022
BindingDB Entry DOI: 10.7270/Q2K938QV
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm00368a022
BindingDB Entry DOI: 10.7270/Q2K938QV
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm00368a022
BindingDB Entry DOI: 10.7270/Q2K938QV
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm00368a022
BindingDB Entry DOI: 10.7270/Q2K938QV
More data for this
Ligand-Target Pair