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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50284844'   
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))
BDBM50284844
PNG
(2-Biphenyl-4-yl-3-methyl-quinoline-4-carboxylic ac...)
Show SMILES Cc1c(nc2ccccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO2/c1-15-21(23(25)26)19-9-5-6-10-20(19)24-22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,26)
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PC cid
PC sid
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Article
1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50284844
PNG
(2-Biphenyl-4-yl-3-methyl-quinoline-4-carboxylic ac...)
Show SMILES Cc1c(nc2ccccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO2/c1-15-21(23(25)26)19-9-5-6-10-20(19)24-22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,26)
PDB
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) expressed in Escherichia coli Rosetta2(DE3) assessed as reduction of DCIP using dihydroorotate as substrate prei...


J Med Chem 61: 5162-5186 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01862
BindingDB Entry DOI: 10.7270/Q2JS9T36
More data for this
Ligand-Target Pair