Found 216 hits with Last Name = 'hedgecock' and Initial = 'c' 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
(Rattus norvegicus (rat)) | BDBM50054585
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)Show SMILES FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O4S/c15-14(16,17)24(22,23)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054573
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054556
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)Show InChI InChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469157
(CHEMBL4284736)Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CC(CN)C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O |r| Show InChI InChI=1S/C38H56BN7O9/c1-5-6-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)38(53)46-21-26(20-40)18-31(46)36(51)45-33(23(3)47)37(52)42-22(2)34(49)44-30(19-32(41)48)35(50)43-24(4)39(54)55/h10-17,22-24,26,30-31,33,47,54-55H,5-9,18-21,40H2,1-4H3,(H2,41,48)(H,42,52)(H,43,50)(H,44,49)(H,45,51)/t22-,23+,24-,26?,30-,31-,33-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054541
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F Show InChI InChI=1S/C16H13F5N2O2/c1-8-6-10(4-5-12(8)15(17,18)16(19,20)21)23-14(25)11(7-22)13(24)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054590
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)Show InChI InChI=1S/C15H13F3N2O2S/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054552
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsul...)Show InChI InChI=1S/C14H14N2O2S/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054560
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054581
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)Show SMILES FC(F)(F)S(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1 Show InChI InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(22)10-5-3-9(4-6-10)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054597
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...)Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469159
(CHEMBL4283840)Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(OC1C2)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C47H70BN7O9/c1-8-9-10-11-13-30-15-17-31(18-16-30)32-19-21-33(22-20-32)42(59)53-35(14-12-23-49)43(60)55-40(28(3)56)45(62)51-27(2)41(58)54-36(26-39(50)57)44(61)52-29(4)48-63-38-25-34-24-37(46(34,5)6)47(38,7)64-48/h15-22,27-29,34-38,40,56H,8-14,23-26,49H2,1-7H3,(H2,50,57)(H,51,62)(H,52,61)(H,53,59)(H,54,58)(H,55,60)/t27-,28+,29-,34-,35-,36-,37-,38?,40-,47-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054574
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)Show InChI InChI=1S/C15H13F3N2O3/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM29024
(CHEMBL141732 | cyanocyclopropylpropenamide, 4)Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054557
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...)Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1 Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50407985
(CHEMBL2111978)Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1 Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054600
((Z)-2-Cyano-3-hydroxy-penta-2,4-dienoic acid (4-tr...)Show InChI InChI=1S/C13H9F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h2-6,10H,1H2,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054553
((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...)Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469154
(CHEMBL4283678)Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C46H64BN11O9/c1-5-6-7-8-10-29-12-14-30(15-13-29)41-51-34-17-16-31(21-36(34)52-41)43(61)53-35(11-9-18-48)44(62)55-40(27(3)59)46(64)49-26(2)42(60)54-37-22-32-25-58(57-56-32)19-20-65-33-23-38-39(24-33)67-47(66-38)28(4)50-45(37)63/h12-17,21,25-28,33,35,37-40,59H,5-11,18-20,22-24,48H2,1-4H3,(H,49,64)(H,50,63)(H,51,52)(H,53,61)(H,54,60)(H,55,62)/t26-,27+,28-,33-,35-,37-,38+,39-,40-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM200906
(US9233946, 5)Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
KANCERA AB
US Patent
| Assay Description
Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e... |
US Patent US9233946 (2016)
BindingDB Entry DOI: 10.7270/Q2V123KB |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054601
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054594
((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...)Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054584
((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054548
((Z)-N-(4-Bromo-phenyl)-2-cyano-3-cyclopropyl-3-hyd...)Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054553
((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...)Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054549
((Z)-N-(5-Bromo-pyridin-2-yl)-2-cyano-3-cyclopropyl...)Show InChI InChI=1S/C12H10BrN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054594
((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...)Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054564
((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...)Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50407985
(CHEMBL2111978)Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1 Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469162
(CHEMBL4282733)Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1)-c1ccc(CCCCCC)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C46H67BN12O8/c1-5-6-7-8-11-31-13-15-32(16-14-31)33-17-19-34(20-18-33)42(62)53-36(12-9-21-50-46(48)49)43(63)55-40(29(3)60)45(65)51-28(2)41(61)54-37-24-35-25-59(57-56-35)23-10-22-58-26-38-39(27-58)67-47(66-38)30(4)52-44(37)64/h13-20,25,28-30,36-40,60H,5-12,21-24,26-27H2,1-4H3,(H,51,65)(H,52,64)(H,53,62)(H,54,61)(H,55,63)(H4,48,49,50)/t28-,29+,30-,36-,37-,38-,39+,40-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469165
(CHEMBL4291540)Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1cncc(c1)C#CCCCCCC)[C@@H](C)O |r| Show InChI InChI=1S/C40H59BN10O9/c1-5-6-7-8-9-10-12-27-17-28(22-43-21-27)37(54)46-31(13-11-14-42)38(55)48-35(25(3)52)40(57)44-24(2)36(53)47-32-18-29-23-51(50-49-29)15-16-58-30-19-33-34(20-30)60-41(59-33)26(4)45-39(32)56/h17,21-26,30-35,52H,5-9,11,13-16,18-20,42H2,1-4H3,(H,44,57)(H,45,56)(H,46,54)(H,47,53)(H,48,55)/t24-,25+,26-,30-,31-,32-,33+,34-,35-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469170
(CHEMBL4291025)Show SMILES [H][C@@]12CN3C[C@]1([H])OB(O2)[C@H](C)NC(=O)[C@H](Cc1cn(CCC3)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccc(CCCC)cc1)[C@@H](C)O |r| Show InChI InChI=1S/C43H61BN10O8/c1-5-6-9-29-11-13-30(14-12-29)31-15-17-32(18-16-31)40(57)48-34(10-7-19-45)41(58)50-38(27(3)55)43(60)46-26(2)39(56)49-35-22-33-23-54(52-51-33)21-8-20-53-24-36-37(25-53)62-44(61-36)28(4)47-42(35)59/h11-18,23,26-28,34-38,55H,5-10,19-22,24-25,45H2,1-4H3,(H,46,60)(H,47,59)(H,48,57)(H,49,56)(H,50,58)/t26-,27+,28-,34-,35-,36-,37+,38-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054587
((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...)Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM29024
(CHEMBL141732 | cyanocyclopropylpropenamide, 4)Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054557
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...)Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1 Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054578
((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...)Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469166
(CHEMBL4294422)Show SMILES CCCCCCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)B(O)O |r| Show InChI InChI=1S/C37H56BN7O9/c1-5-6-7-8-10-25-12-14-26(15-13-25)27-16-18-28(19-17-27)34(49)43-29(11-9-20-39)35(50)45-32(23(3)46)37(52)41-22(2)33(48)44-30(21-31(40)47)36(51)42-24(4)38(53)54/h12-19,22-24,29-30,32,46,53-54H,5-11,20-21,39H2,1-4H3,(H2,40,47)(H,41,52)(H,42,51)(H,43,49)(H,44,48)(H,45,50)/t22-,23+,24-,29-,30-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054587
((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...)Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054560
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4
(Homo sapiens (Human)) | BDBM200906
(US9233946, 5)Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
KANCERA AB
US Patent
| Assay Description
Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP... |
US Patent US9233946 (2016)
BindingDB Entry DOI: 10.7270/Q2V123KB |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054578
((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...)Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054565
((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...)Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F |w:1.0| Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054584
((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054606
((Z)-N-(4-Acetyl-phenyl)-2-cyano-3-cyclopropyl-3-hy...)Show InChI InChI=1S/C15H14N2O3/c1-9(18)10-4-6-12(7-5-10)17-15(20)13(8-16)14(19)11-2-3-11/h4-7,11,13H,2-3H2,1H3,(H,17,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | 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
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Mus musculus) | BDBM50054564
((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...)Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Signal peptidase I
(Escherichia coli (strain K12)) | BDBM50469169
(CHEMBL4292925)Show SMILES [H][C@]12C[C@@]3([H])OB(O[C@@]3([H])C1)[C@H](C)NC(=O)[C@H](Cc1cn(CCO2)nn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)c1ccc(cc1)-c1ccccc1)[C@@H](C)O |r| Show InChI InChI=1S/C39H52BN9O9/c1-22(35(51)45-31-18-28-21-49(48-47-28)16-17-56-29-19-32-33(20-29)58-40(57-32)24(3)43-38(31)54)42-39(55)34(23(2)50)46-37(53)30(10-7-15-41)44-36(52)27-13-11-26(12-14-27)25-8-5-4-6-9-25/h4-6,8-9,11-14,21-24,29-34,50H,7,10,15-20,41H2,1-3H3,(H,42,55)(H,43,54)(H,44,52)(H,45,51)(H,46,53)/t22-,23+,24-,29-,30-,31-,32+,33-,34-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate additi... |
Eur J Med Chem 157: 1346-1360 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.086
BindingDB Entry DOI: 10.7270/Q2H70JH1 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054555
((Z)-N-(5-Chloro-pyridin-2-yl)-2-cyano-3-cyclopropy...)Show InChI InChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Rattus norvegicus (rat)) | BDBM50054591
((Z)-N-(3-Chloro-4-methyl-phenyl)-2-cyano-3-cyclopr...)Show InChI InChI=1S/C14H13ClN2O2/c1-8-2-5-10(6-12(8)15)17-14(19)11(7-16)13(18)9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,17,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel
Curated by ChEMBL
| Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat |
J Med Chem 39: 4608-21 (1996)
Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX |
More data for this
Ligand-Target Pair | |
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