Found 90 hits with Last Name = 'gardner' and Initial = 'tl' 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)) | BDBM50284844
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284826
(CHEMBL288708 | Sodium; 2-biphenyl-4-yl-6-fluoro-3-...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069968
(CHEMBL104209 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284843
(2-Biphenyl-4-yl-3-methyl-6-trifluoromethyl-quinoli...)Show SMILES Cc1c(nc2ccc(cc2c1C(O)=O)C(F)(F)F)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H16F3NO2/c1-14-21(23(29)30)19-13-18(24(25,26)27)11-12-20(19)28-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284861
(2-Biphenyl-4-yl-6-fluoro-quinoline-4-carboxylic ac...)Show SMILES OC(=O)c1cc(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H14FNO2/c23-17-10-11-20-18(12-17)19(22(25)26)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284834
(2-Biphenyl-4-yl-3,6-dimethyl-quinoline-4-carboxyli...)Show SMILES Cc1ccc2nc(c(C)c(C(O)=O)c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H19NO2/c1-15-8-13-21-20(14-15)22(24(26)27)16(2)23(25-21)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069950
(CHEMBL321060 | Sodium; 9-fluoro-3-o-tolyl-5,6-dihy...)Show SMILES Cc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284867
(CHEMBL43639 | Sodium; 6-fluoro-2-(2'-fluoro-4'-hyd...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(O)cc1F Show InChI InChI=1S/C23H15F2NO3/c1-12-21(23(28)29)18-10-15(24)6-9-20(18)26-22(12)14-4-2-13(3-5-14)17-8-7-16(27)11-19(17)25/h2-11,27H,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | 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
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069959
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)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)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284858
(2-Biphenyl-4-yl-6-fluoro-3-methylsulfanyl-quinolin...)Show SMILES CSc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO2S/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284853
(2-Biphenyl-4-yl-6-fluoro-3-methoxy-quinoline-4-car...)Show SMILES COc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO3/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069939
(CHEMBL106467 | Sodium; 9-fluoro-3-p-tolyl-6H-thioc...)Show SMILES Cc1ccc(cc1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284838
(9-Fluoro-3-phenyl-5,6-dihydro-benzo[c]acridine-7-c...)Show SMILES OC(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069951
(CHEMBL104302 | Sodium; 9-fluoro-3-phenyl-6H-thioch...)Show SMILES [O-]C(=O)c1c2CSc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO2S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284862
(2-Biphenyl-4-yl-6-chloro-3-methyl-quinoline-4-carb...)Show SMILES Cc1c(nc2ccc(Cl)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16ClNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069943
(CHEMBL106515 | Sodium; 9-fluoro-3-(2-methoxy-pheny...)Show SMILES COc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-22-5-3-2-4-17(22)14-6-9-18-15(12-14)7-10-19-23(25(28)29)20-13-16(26)8-11-21(20)27-24(18)19/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284830
(CHEMBL38421 | Sodium; 6-fluoro-3-methyl-2-(4'-meth...)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1nc2ccc(F)cc2c(C([O-])=O)c1C Show InChI InChI=1S/C24H18FNO2/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23/h3-13H,1-2H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069948
(CHEMBL107209 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-18-4-2-3-14(12-18)15-5-8-19-16(11-15)6-9-20-23(25(28)29)21-13-17(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069958
(CHEMBL104146 | Sodium; 9-fluoro-3-o-tolyl-5H-6-thi...)Show SMILES Cc1ccccc1-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-17(13)14-6-8-18-15(10-14)12-29-23-21(24(27)28)19-11-16(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284846
(2-Biphenyl-4-yl-5-chloro-3-methyl-quinoline-4-carb...)Show SMILES Cc1c(nc2cccc(Cl)c2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16ClNO2/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069941
(CHEMBL321163 | Sodium; 9-fluoro-3-o-tolyl-6H-thioc...)Show SMILES Cc1ccccc1-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-16(13)14-6-8-17-21(10-14)29-12-19-22(24(27)28)18-11-15(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284864
(2-(4-Cyclohexyl-phenyl)-6-fluoro-3-methyl-quinolin...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C23H22FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284860
(6-Fluoro-3-methyl-2-(4-phenoxy-phenyl)-quinoline-4...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-16(24)9-12-20(19)25-22(14)15-7-10-18(11-8-15)28-17-5-3-2-4-6-17/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284842
(2-Biphenyl-4-yl-3-ethyl-6-fluoro-quinoline-4-carbo...)Show SMILES CCc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H18FNO2/c1-2-19-22(24(27)28)20-14-18(25)12-13-21(20)26-23(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069971
(CHEMBL105175 | Sodium; 3-phenyl-9-trifluoromethyl-...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(cc12)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C25H16F3NO2/c26-25(27,28)17-8-11-21-20(13-17)22(24(30)31)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)29-21/h1-6,8-9,11-13H,7,10H2,(H,30,31)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069940
(CHEMBL320204 | Sodium; 9-fluoro-3-(2-fluoro-phenyl...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1F Show InChI InChI=1S/C24H15F2NO2/c25-15-7-10-21-19(12-15)22(24(28)29)18-9-6-14-11-13(5-8-17(14)23(18)27-21)16-3-1-2-4-20(16)26/h1-5,7-8,10-12H,6,9H2,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069960
(CHEMBL104136 | Sodium; 9-fluoro-3-m-tolyl-6H-thioc...)Show SMILES Cc1cccc(c1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)6-8-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284855
(CHEMBL38242 | Sodium; 2-(4'-bromo-biphenyl-4-yl)-6...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C23H15BrFNO2/c1-13-21(23(27)28)19-12-18(25)10-11-20(19)26-22(13)16-4-2-14(3-5-16)15-6-8-17(24)9-7-15/h2-12H,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069949
(CHEMBL322274 | Sodium; 9-fluoro-3-(2-trifluorometh...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C25H15F4NO2/c26-15-7-10-21-19(12-15)22(24(31)32)18-9-6-14-11-13(5-8-17(14)23(18)30-21)16-3-1-2-4-20(16)25(27,28)29/h1-5,7-8,10-12H,6,9H2,(H,31,32)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069944
(CHEMBL106865 | Sodium; 9-fluoro-3-p-tolyl-5,6-dihy...)Show SMILES Cc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20-23(25(28)29)21-13-18(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201921
(2-Biphenyl-4-yl-6-fluoro-3-hydroxy-quinoline-4-car...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284837
(2-(4-tert-Butyl-phenyl)-6-fluoro-3-methyl-quinolin...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C21H20FNO2/c1-12-18(20(24)25)16-11-15(22)9-10-17(16)23-19(12)13-5-7-14(8-6-13)21(2,3)4/h5-11H,1-4H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069966
(CHEMBL104824 | Sodium; 9-fluoro-3-(3-trifluorometh...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H15F4NO2/c26-17-6-9-21-20(12-17)22(24(31)32)19-8-5-15-10-14(4-7-18(15)23(19)30-21)13-2-1-3-16(11-13)25(27,28)29/h1-4,6-7,9-12H,5,8H2,(H,31,32)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069957
(CHEMBL107642 | Sodium; 9-fluoro-3-phenyl-6H-chrome...)Show SMILES [O-]C(=O)c1c2COc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO3/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284852
(2-(2'-Fluoro-biphenyl-4-yl)-3-methyl-[1,7]naphthyr...)Show SMILES Cc1c(nc2cnccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C22H15FN2O2/c1-13-20(22(26)27)17-10-11-24-12-19(17)25-21(13)15-8-6-14(7-9-15)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284820
(CHEMBL38978 | Sodium; 6-fluoro-2-(3'-fluoro-biphen...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1cccc(F)c1 Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)19-12-18(25)9-10-20(19)26-22(13)15-7-5-14(6-8-15)16-3-2-4-17(24)11-16/h2-12H,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069970
(CHEMBL107224 | Sodium; 9-fluoro-3-thiophen-3-yl-5,...)Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccsc1 Show InChI InChI=1S/C22H14FNO2S/c23-15-3-6-19-18(10-15)20(22(25)26)17-5-2-13-9-12(14-7-8-27-11-14)1-4-16(13)21(17)24-19/h1,3-4,6-11H,2,5H2,(H,25,26)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069947
(CHEMBL441276 | Sodium; 9-fluoro-3-(4-methoxy-pheny...)Show SMILES COc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO3/c1-30-18-7-2-14(3-8-18)15-4-9-19-16(12-15)5-10-20-23(25(28)29)21-13-17(26)6-11-22(21)27-24(19)20/h2-4,6-9,11-13H,5,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284859
(CHEMBL41799 | Sodium; 6-fluoro-3-methyl-2-(4-thiop...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C21H14FNO2S/c1-12-19(21(24)25)16-11-15(22)8-9-17(16)23-20(12)14-6-4-13(5-7-14)18-3-2-10-26-18/h2-11H,1H3,(H,24,25)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069961
(CHEMBL104766 | Sodium; 9-fluoro-3-m-tolyl-5,6-dihy...)Show SMILES Cc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C25H18FNO2/c1-14-3-2-4-15(11-14)16-5-8-19-17(12-16)6-9-20-23(25(28)29)21-13-18(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284854
(6-Fluoro-2-(4-hexyl-phenyl)-3-methyl-quinoline-4-c...)Show SMILES CCCCCCc1ccc(cc1)-c1nc2ccc(F)cc2c(C(O)=O)c1C Show InChI InChI=1S/C23H24FNO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)22-15(2)21(23(26)27)19-14-18(24)12-13-20(19)25-22/h8-14H,3-7H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284851
(6-Fluoro-3-methyl-2-(3-phenoxy-phenyl)-quinoline-4...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-16(24)10-11-20(19)25-22(14)15-6-5-9-18(12-15)28-17-7-3-2-4-8-17/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069973
(CHEMBL104167 | Sodium; 9-fluoro-3-m-tolyl-5,6-dihy...)Show SMILES Cc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)n1 Show InChI InChI=1S/C24H17FN2O2/c1-13-3-2-4-14(11-13)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-15(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069946
(CHEMBL108213 | Sodium; 9-fluoro-3-m-tolyl-5H-6-thi...)Show SMILES Cc1cccc(c1)-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-18-16(10-15)12-29-23-21(24(27)28)19-11-17(25)6-8-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069952
(CHEMBL108327 | Sodium; 9-fluoro-5,5-dioxo-3-phenyl...)Show SMILES [O-]C(=O)c1c2CS(=O)(=O)c3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO4S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-30(28,29)20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50284869
(CHEMBL38639 | Sodium; 2-(4'-chloro-biphenyl-4-yl)-...)Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H15ClFNO2/c1-13-21(23(27)28)19-12-18(25)10-11-20(19)26-22(13)16-4-2-14(3-5-16)15-6-8-17(24)9-7-15/h2-12H,1H3,(H,27,28)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50284841
(2-Biphenyl-4-yl-8-chloro-3-methyl-quinoline-4-carb...)Show SMILES Cc1c(nc2c(Cl)cccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16ClNO2/c1-14-20(23(26)27)18-8-5-9-19(24)22(18)25-21(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50069945
(CHEMBL106529 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)n1 Show InChI InChI=1S/C24H17FN2O3/c1-30-15-4-2-3-13(11-15)19-9-6-16-20(26-19)10-7-17-22(24(28)29)18-12-14(25)5-8-21(18)27-23(16)17/h2-6,8-9,11-12H,7,10H2,1H3,(H,28,29)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50069972
(CHEMBL320245 | Sodium; 9-fluoro-3-phenyl-5H-6-thia...)Show SMILES [O-]C(=O)c1c2SCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO2S/c24-16-7-9-19-18(11-16)20(23(26)27)22-21(25-19)17-8-6-14(10-15(17)12-28-22)13-4-2-1-3-5-13/h1-11H,12H2,(H,26,27)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase) |
Bioorg Med Chem Lett 8: 307-12 (1999)
BindingDB Entry DOI: 10.7270/Q21C1W19 |
More data for this
Ligand-Target Pair | |
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