Found 10 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)) | BDBM50434228
(CHEMBL2385512)Show SMILES CC(C)c1cc(c(C)cc1Oc1ccccc1)-c1cc(C(O)=O)c2cc(F)ccc2n1 Show InChI InChI=1S/C26H22FNO3/c1-15(2)19-13-20(16(3)11-25(19)31-18-7-5-4-6-8-18)24-14-22(26(29)30)21-12-17(27)9-10-23(21)28-24/h4-15H,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434229
(CHEMBL2385511)Show SMILES Cc1cc(cc(C)c1Oc1ccccc1)-c1cc(C(O)=O)c2cc(F)ccc2n1 Show InChI InChI=1S/C24H18FNO3/c1-14-10-16(11-15(2)23(14)29-18-6-4-3-5-7-18)22-13-20(24(27)28)19-12-17(25)8-9-21(19)26-22/h3-13H,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434230
(CHEMBL2385510)Show SMILES CC(C)(C)c1ccc(Oc2ccc(cc2)-c2cc(C(O)=O)c3cc(F)ccc3n2)cc1 Show InChI InChI=1S/C26H22FNO3/c1-26(2,3)17-6-11-20(12-7-17)31-19-9-4-16(5-10-19)24-15-22(25(29)30)21-14-18(27)8-13-23(21)28-24/h4-15H,1-3H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434231
(CHEMBL2385515)Show SMILES OC(=O)c1cc(nc2ccc(F)cc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H14FNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434232
(CHEMBL2385514)Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434236
(CHEMBL2385715)Show InChI InChI=1S/C19H16ClNO3/c1-2-9-24-14-6-3-12(4-7-14)18-11-16(19(22)23)15-10-13(20)5-8-17(15)21-18/h3-8,10-11H,2,9H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434235
(CHEMBL2385719)Show SMILES OC(=O)c1cc(nc2ccc(Cl)cc12)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-10-3-6-14-12(7-10)13(16(23)24)8-15(22-14)9-1-4-11(5-2-9)25-17(19,20)21/h1-8H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434234
(CHEMBL2385720)Show InChI InChI=1S/C16H9ClFNO2/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9/h1-8H,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50434233
(CHEMBL2385721)Show InChI InChI=1S/C17H12ClNO2/c1-10-2-4-11(5-3-10)16-9-14(17(20)21)13-8-12(18)6-7-15(13)19-16/h2-9H,1H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human DHODH |
ACS Med Chem Lett 4: 517-521 (2013)
Article DOI: 10.1021/ml300464h
BindingDB Entry DOI: 10.7270/Q26H4JS3 |
More data for this
Ligand-Target Pair | |
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