Found 25 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)) | BDBM50359706
(CHEMBL1929450)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC)c2)c(c1)C(=O)OC Show InChI InChI=1S/C21H20N2O5/c1-4-19(24)18(12-22)20(25)23-14-8-9-16(17(11-14)21(26)28-3)13-6-5-7-15(10-13)27-2/h5-11,18H,4H2,1-3H3,(H,23,25) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM14712
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)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/h2-5,10H,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of rat dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359695
(CHEMBL1929439)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(c1)C(=O)OC Show InChI InChI=1S/C21H17F3N2O5/c1-3-18(27)17(11-25)19(28)26-13-7-8-15(16(10-13)20(29)30-2)12-5-4-6-14(9-12)31-21(22,23)24/h4-10,17H,3H2,1-2H3,(H,26,28) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359709
(CHEMBL1929453)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC3CCC3)c2)c(c1)C(=O)OC Show InChI InChI=1S/C24H24N2O5/c1-3-22(27)21(14-25)23(28)26-16-10-11-19(20(13-16)24(29)30-2)15-6-4-9-18(12-15)31-17-7-5-8-17/h4,6,9-13,17,21H,3,5,7-8H2,1-2H3,(H,26,28) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359697
(CHEMBL1929441)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccc(F)cc1F Show InChI InChI=1S/C20H16F2N2O4/c1-3-18(25)16(10-23)19(26)24-12-5-7-13(15(9-12)20(27)28-2)14-6-4-11(21)8-17(14)22/h4-9,16H,3H2,1-2H3,(H,24,26) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359693
(CHEMBL1929437)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(Cl)c2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17ClN2O4/c1-3-18(24)17(11-22)19(25)23-14-7-8-15(16(10-14)20(26)27-2)12-5-4-6-13(21)9-12/h4-10,17H,3H2,1-2H3,(H,23,25) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359708
(CHEMBL1929452)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)F)c2)c(c1)C(=O)OC Show InChI InChI=1S/C21H18F2N2O5/c1-3-18(26)17(11-24)19(27)25-13-7-8-15(16(10-13)20(28)29-2)12-5-4-6-14(9-12)30-21(22)23/h4-10,17,21H,3H2,1-2H3,(H,25,27) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359698
(CHEMBL1929442)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccnc2)c(c1)C(=O)OC Show InChI InChI=1S/C19H17N3O4/c1-3-17(23)16(10-20)18(24)22-13-6-7-14(12-5-4-8-21-11-12)15(9-13)19(25)26-2/h4-9,11,16H,3H2,1-2H3,(H,22,24) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359694
(CHEMBL1929438)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(Cl)cc2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17ClN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,17H,3H2,1-2H3,(H,23,25) | 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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359699
(CHEMBL1929443)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccc(F)cc1C Show InChI InChI=1S/C21H19FN2O4/c1-4-19(25)18(11-23)20(26)24-14-6-8-16(17(10-14)21(27)28-3)15-7-5-13(22)9-12(15)2/h5-10,18H,4H2,1-3H3,(H,24,26) | 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 | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359692
(CHEMBL1929436)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccccc1Cl Show InChI InChI=1S/C20H17ClN2O4/c1-3-18(24)16(11-22)19(25)23-12-8-9-13(15(10-12)20(26)27-2)14-6-4-5-7-17(14)21/h4-10,16H,3H2,1-2H3,(H,23,25) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359704
(CHEMBL1929448)Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)C(C#N)C(=O)CC)cc1C(=O)OC Show InChI InChI=1S/C22H22N2O5/c1-4-20(25)19(13-23)21(26)24-15-9-10-17(18(12-15)22(27)28-3)14-7-6-8-16(11-14)29-5-2/h6-12,19H,4-5H2,1-3H3,(H,24,26) | 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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359707
(CHEMBL1929451)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc3OCCOc3c2)c(c1)C(=O)OC Show InChI InChI=1S/C22H20N2O6/c1-3-18(25)17(12-23)21(26)24-14-5-6-15(16(11-14)22(27)28-2)13-4-7-19-20(10-13)30-9-8-29-19/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,24,26) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359703
(CHEMBL1929447)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccc(F)cc1OC Show InChI InChI=1S/C21H19FN2O5/c1-4-18(25)17(11-23)20(26)24-13-6-8-14(16(10-13)21(27)29-3)15-7-5-12(22)9-19(15)28-2/h5-10,17H,4H2,1-3H3,(H,24,26) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359690
(CHEMBL1929434)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccccc2)c(c1)C(=O)OC Show InChI InChI=1S/C20H18N2O4/c1-3-18(23)17(12-21)19(24)22-14-9-10-15(13-7-5-4-6-8-13)16(11-14)20(25)26-2/h4-11,17H,3H2,1-2H3,(H,22,24) | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359705
(CHEMBL1929449)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc3OCOc3c2)c(c1)C(=O)OC Show InChI InChI=1S/C21H18N2O6/c1-3-17(24)16(10-22)20(25)23-13-5-6-14(15(9-13)21(26)27-2)12-4-7-18-19(8-12)29-11-28-18/h4-9,16H,3,11H2,1-2H3,(H,23,25) | 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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359689
(CHEMBL1929433)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)c(c1)C(=O)OC Show InChI InChI=1S/C15H13F3N2O7S/c1-3-11(21)10(7-19)13(22)20-8-4-5-12(9(6-8)14(23)26-2)27-28(24,25)15(16,17)18/h4-6,10H,3H2,1-2H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359701
(CHEMBL1929445)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)c(F)c2)c(c1)C(=O)OC Show InChI InChI=1S/C20H16F2N2O4/c1-3-18(25)15(10-23)19(26)24-12-5-6-13(14(9-12)20(27)28-2)11-4-7-16(21)17(22)8-11/h4-9,15H,3H2,1-2H3,(H,24,26) | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359691
(CHEMBL1929435)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)cc2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,17H,3H2,1-2H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359702
(CHEMBL1929446)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cc(F)c(F)c(F)c2)c(c1)C(=O)OC Show InChI InChI=1S/C20H15F3N2O4/c1-3-17(26)14(9-24)19(27)25-11-4-5-12(13(8-11)20(28)29-2)10-6-15(21)18(23)16(22)7-10/h4-8,14H,3H2,1-2H3,(H,25,27) | 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 | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359688
(CHEMBL1929432)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C13H11F3N2O5S/c1-2-11(19)10(7-17)12(20)18-8-3-5-9(6-4-8)23-24(21,22)13(14,15)16/h3-6,10H,2H2,1H3,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359700
(CHEMBL1929444)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)nc2)c(c1)C(=O)OC Show InChI InChI=1S/C19H16FN3O4/c1-3-16(24)15(9-21)18(25)23-12-5-6-13(14(8-12)19(26)27-2)11-4-7-17(20)22-10-11/h4-8,10,15H,3H2,1-2H3,(H,23,25) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50359696
(CHEMBL1929440)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(F)c2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-7-8-15(16(10-14)20(26)27-2)12-5-4-6-13(21)9-12/h4-10,17H,3H2,1-2H3,(H,23,25) | 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 | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50359691
(CHEMBL1929435)Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2ccc(F)cc2)c(c1)C(=O)OC Show InChI InChI=1S/C20H17FN2O4/c1-3-18(24)17(11-22)19(25)23-14-8-9-15(16(10-14)20(26)27-2)12-4-6-13(21)7-5-12/h4-10,17H,3H2,1-2H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of rat dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM14712
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)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/h2-5,10H,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of human dihydroorotate dehydrogenase |
Bioorg Med Chem Lett 21: 7268-72 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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