Found 3 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM15339
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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MCE
MMDB
PC cid
PC sid
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Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHODH |
J Med Chem 58: 5579-98 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00606
BindingDB Entry DOI: 10.7270/Q20V8FJT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50095120
(CHEMBL3589752)Show SMILES CC(C)Oc1nn(c(C)c1Oc1c(F)cccc1F)-c1ncc(cc1F)C1CC1 Show InChI InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry |
J Med Chem 58: 5579-98 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00606
BindingDB Entry DOI: 10.7270/Q20V8FJT |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50018011
(Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE)Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Pasteur
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHODH |
J Med Chem 58: 5579-98 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00606
BindingDB Entry DOI: 10.7270/Q20V8FJT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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