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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 = 'BDBM50119488'   
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))
BDBM50119488
PNG
(CHEMBL143628 | X1-(4-Chloro-phenyl)-1H-pyrazole-3,...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19ClN4O2/c25-18-11-13-20(14-12-18)29-22(24(31)27-19-9-5-2-6-10-19)15-21(28-29)23(30)26-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,30)(H,27,31)
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PC cid
PC sid
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Similars

PubMed
4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)


BindingDB Entry DOI: 10.7270/Q2C24VSW
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50119488
PNG
(CHEMBL143628 | X1-(4-Chloro-phenyl)-1H-pyrazole-3,...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19ClN4O2/c25-18-11-13-20(14-12-18)29-22(24(31)27-19-9-5-2-6-10-19)15-21(28-29)23(30)26-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,30)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase (DHODase)


J Med Chem 45: 4669-78 (2002)


BindingDB Entry DOI: 10.7270/Q2C24VSW
More data for this
Ligand-Target Pair