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PubMed code 9804694

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
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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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
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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UniChem
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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
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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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
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)
PDB

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PC cid
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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
* indicates data uncertainty>20%