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PubMed code 28669445

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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50269005
PNG
(CHEMBL218467)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#7]-c1ccc2sc3ccccc3c2c1)\[#6](=O)-[#8]-[#6]-[#6]
Show InChI InChI=1S/C20H19NO4S/c1-3-24-19(22)16(20(23)25-4-2)12-21-13-9-10-18-15(11-13)14-7-5-6-8-17(14)26-18/h5-12,21H,3-4H2,1-2H3
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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of homologous location truncated N-terminal His-tagged human DHODH expressed in Escherichia coli pyrD Sphi6745 by spectrophotometric analy...


Bioorg Med Chem Lett 27: 3878-3882 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.052
BindingDB Entry DOI: 10.7270/Q28C9ZQ9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50269003
PNG
(CHEMBL4094476)
Show SMILES CCOC(=O)C(=C\Nc1ccc2n(CC)c3ccccc3c2c1)\[N+]([O-])=O
Show InChI InChI=1S/C19H19N3O4/c1-3-21-16-8-6-5-7-14(16)15-11-13(9-10-17(15)21)20-12-18(22(24)25)19(23)26-4-2/h5-12,20H,3-4H2,1-2H3/b18-12-
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of homologous location truncated N-terminal His-tagged human DHODH expressed in Escherichia coli pyrD Sphi6745 by spectrophotometric analy...


Bioorg Med Chem Lett 27: 3878-3882 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.052
BindingDB Entry DOI: 10.7270/Q28C9ZQ9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50269004
PNG
(CHEMBL4073917)
Show SMILES CCOC(=O)C(=C/Nc1ccc2sc3ccccc3c2c1)\[N+]([O-])=O
Show InChI InChI=1S/C17H14N2O4S/c1-2-23-17(20)14(19(21)22)10-18-11-7-8-16-13(9-11)12-5-3-4-6-15(12)24-16/h3-10,18H,2H2,1H3/b14-10+
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of homologous location truncated N-terminal His-tagged human DHODH expressed in Escherichia coli pyrD Sphi6745 by spectrophotometric analy...


Bioorg Med Chem Lett 27: 3878-3882 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.052
BindingDB Entry DOI: 10.7270/Q28C9ZQ9
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50268993
PNG
(CHEMBL218703)
Show SMILES CCOC(=O)C(=C/Nc1ccc2n(CC)c3ccccc3c2c1)\C#N
Show InChI InChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13,22H,3-4H2,1-2H3/b14-13-
PDB
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Article
PubMed
n/an/a 4.91E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of homologous location truncated N-terminal His-tagged human DHODH expressed in Escherichia coli pyrD Sphi6745 by spectrophotometric analy...


Bioorg Med Chem Lett 27: 3878-3882 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.052
BindingDB Entry DOI: 10.7270/Q28C9ZQ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%