Found 24 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)) | BDBM50119489
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(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
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119481
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES NC(=O)c1ccc(NC(=O)c2cc(nn2-c2ccc(Cl)cc2)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C25H20ClN5O3/c26-18-8-12-20(13-9-18)31-22(25(34)29-19-10-6-17(7-11-19)23(27)32)14-21(30-31)24(33)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,32)(H,28,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119483
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)N1CCCCC1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H27ClN6O2/c29-21-6-10-24(11-7-21)35-26(17-25(33-35)27(36)31-19-20-5-4-14-30-18-20)28(37)32-22-8-12-23(13-9-22)34-15-2-1-3-16-34/h4-14,17-18H,1-3,15-16,19H2,(H,31,36)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119485
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H21N5O3/c1-32-20-11-9-19(10-12-20)29-22(24(31)27-18-7-3-2-4-8-18)14-21(28-29)23(30)26-16-17-6-5-13-25-15-17/h2-15H,16H2,1H3,(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
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119490
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(19-26(33-35)28(36)31-20-21-7-3-2-4-8-21)29(37)32-23-11-9-22(10-12-23)30(38)34-17-5-6-18-34/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,31,36)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119492
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES Cc1ccc(CNC(=O)c2cc(C(=O)Nc3ccccc3)n(n2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H21ClN4O2/c1-17-7-9-18(10-8-17)16-27-24(31)22-15-23(25(32)28-20-5-3-2-4-6-20)30(29-22)21-13-11-19(26)12-14-21/h2-15H,16H2,1H3,(H,27,31)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119487
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES CC(C)CNC(=O)c1cc(nn1-c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H23ClN4O2/c1-15(2)13-24-22(29)20-12-19(21(28)25-14-16-6-4-3-5-7-16)26-27(20)18-10-8-17(23)9-11-18/h3-12,15H,13-14H2,1-2H3,(H,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119491
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC(C)C Show InChI InChI=1S/C27H31N5O4/c1-18(2)17-28-25(33)23-16-24(32(30-23)21-10-12-22(36-3)13-11-21)26(34)29-20-8-6-19(7-9-20)27(35)31-14-4-5-15-31/h6-13,16,18H,4-5,14-15,17H2,1-3H3,(H,28,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119484
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC1CCCO1 Show InChI InChI=1S/C28H31N5O5/c1-37-22-12-10-21(11-13-22)33-25(17-24(31-33)26(34)29-18-23-5-4-16-38-23)27(35)30-20-8-6-19(7-9-20)28(36)32-14-2-3-15-32/h6-13,17,23H,2-5,14-16,18H2,1H3,(H,29,34)(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119482
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NCc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(29(37)31-20-21-7-3-2-4-8-21)19-26(33-35)28(36)32-23-11-9-22(10-12-23)30(38)34-17-5-6-18-34/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,31,37)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119486
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H28N4O3/c1-39-27-19-17-26(18-20-27)36-29(32(38)33-22-23-11-5-2-6-12-23)21-28(35-36)31(37)34-30(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21,30H,22H2,1H3,(H,33,38)(H,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50119485
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H21N5O3/c1-32-20-11-9-19(10-12-20)29-22(24(31)27-18-7-3-2-4-8-18)14-21(28-29)23(30)26-16-17-6-5-13-25-15-17/h2-15H,16H2,1H3,(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+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119486
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NCc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H28N4O3/c1-39-27-19-17-26(18-20-27)36-29(32(38)33-22-23-11-5-2-6-12-23)21-28(35-36)31(37)34-30(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21,30H,22H2,1H3,(H,33,38)(H,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119487
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES CC(C)CNC(=O)c1cc(nn1-c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H23ClN4O2/c1-15(2)13-24-22(29)20-12-19(21(28)25-14-16-6-4-3-5-7-16)26-27(20)18-10-8-17(23)9-11-18/h3-12,15H,13-14H2,1-2H3,(H,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119492
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES Cc1ccc(CNC(=O)c2cc(C(=O)Nc3ccccc3)n(n2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C25H21ClN4O2/c1-17-7-9-18(10-8-17)16-27-24(31)22-15-23(25(32)28-20-5-3-2-4-6-20)30(29-22)21-13-11-19(26)12-14-21/h2-15H,16H2,1H3,(H,27,31)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119482
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)NCc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(29(37)31-20-21-7-3-2-4-8-21)19-26(33-35)28(36)32-23-11-9-22(10-12-23)30(38)34-17-5-6-18-34/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,31,37)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119483
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)N1CCCCC1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H27ClN6O2/c29-21-6-10-24(11-7-21)35-26(17-25(33-35)27(36)31-19-20-5-4-14-30-18-20)28(37)32-22-8-12-23(13-9-22)34-15-2-1-3-16-34/h4-14,17-18H,1-3,15-16,19H2,(H,31,36)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119491
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC(C)C Show InChI InChI=1S/C27H31N5O4/c1-18(2)17-28-25(33)23-16-24(32(30-23)21-10-12-22(36-3)13-11-21)26(34)29-20-8-6-19(7-9-20)27(35)31-14-4-5-15-31/h6-13,16,18H,4-5,14-15,17H2,1-3H3,(H,28,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119490
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(19-26(33-35)28(36)31-20-21-7-3-2-4-8-21)29(37)32-23-11-9-22(10-12-23)30(38)34-17-5-6-18-34/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,31,36)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119489
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(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+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119484
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC1CCCO1 Show InChI InChI=1S/C28H31N5O5/c1-37-22-12-10-21(11-13-22)33-25(17-24(31-33)26(34)29-18-23-5-4-16-38-23)27(35)30-20-8-6-19(7-9-20)28(36)32-14-2-3-15-32/h6-13,17,23H,2-5,14-16,18H2,1H3,(H,29,34)(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119481
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)Show SMILES NC(=O)c1ccc(NC(=O)c2cc(nn2-c2ccc(Cl)cc2)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C25H20ClN5O3/c26-18-8-12-20(13-9-18)31-22(25(34)29-19-10-6-17(7-11-19)23(27)32)14-21(30-31)24(33)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,32)(H,28,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50119488
(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+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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