Found 25 hits with Last Name = 'ferrer' and Initial = 'sb' 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)) | BDBM50365224
(CHEMBL1956291 | US9238653, Table 5, Compound 29)Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C13H9F8N5S/c1-7-6-10(26-12(22-7)24-11(25-26)13(14,15)16)23-8-2-4-9(5-3-8)27(17,18,19,20)21/h2-6,23H,1H3 | 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 | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365244
(CHEMBL1956264)Show InChI InChI=1S/C15H14F3N5/c1-3-12-21-14-19-9(2)8-13(23(14)22-12)20-11-6-4-10(5-7-11)15(16,17)18/h4-8,20H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365222
(CHEMBL1956471)Show InChI InChI=1S/C14H14ClN5O/c1-3-21-14-18-13-16-9(2)8-12(20(13)19-14)17-11-6-4-10(15)5-7-11/h4-8,17H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365223
(CHEMBL1956470)Show InChI InChI=1S/C14H14ClN5O/c1-3-21-14-18-13-16-9(2)7-12(20(13)19-14)17-11-6-4-5-10(15)8-11/h4-8,17H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365225
(CHEMBL1956290 | US9238653, Table 5, Compound 14)Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(F)(F)F Show InChI InChI=1S/C14H9F6N5/c1-7-6-10(22-9-4-2-8(3-5-9)13(15,16)17)25-12(21-7)23-11(24-25)14(18,19)20/h2-6,22H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365226
(CHEMBL1956289 | US9238653, Table 5, Compound 52)Show SMILES CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C15H14F7N5S/c1-3-15(16,17)13-25-14-23-9(2)8-12(27(14)26-13)24-10-4-6-11(7-5-10)28(18,19,20,21)22/h4-8,24H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365227
(CHEMBL1956288 | US9238653, Table 5, Compound 46)Show SMILES CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1 Show InChI InChI=1S/C16H14F5N5/c1-3-15(17,18)13-24-14-22-9(2)8-12(26(14)25-13)23-11-6-4-10(5-7-11)16(19,20)21/h4-8,23H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365228
(CHEMBL1956287)Show InChI InChI=1S/C15H14ClF2N5/c1-3-15(17,18)13-21-14-19-9(2)7-12(23(14)22-13)20-11-6-4-5-10(16)8-11/h4-8,20H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365229
(CHEMBL1956286)Show InChI InChI=1S/C15H14ClF2N5/c1-3-15(17,18)13-21-14-19-9(2)8-12(23(14)22-13)20-11-6-4-10(16)5-7-11/h4-8,20H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365230
(CHEMBL1956285 | US11903936, Compound DSM265 | US92...)Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365231
(CHEMBL1738786 | US9238653, Table 5, Compound 7)Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(C)(F)F Show InChI InChI=1S/C15H12F5N5/c1-8-7-11(22-10-5-3-9(4-6-10)15(18,19)20)25-13(21-8)23-12(24-25)14(2,16)17/h3-7,22H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365232
(CHEMBL1956283 | US9238653, Table 5, Compound 54)Show InChI InChI=1S/C14H12ClF2N5/c1-8-7-11(19-10-5-3-9(15)4-6-10)22-13(18-8)20-12(21-22)14(2,16)17/h3-7,19H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365233
(CHEMBL1956279 | US9238653, Table 5, Compound 53)Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C1CC1 Show InChI InChI=1S/C15H14F5N5S/c1-9-8-13(25-15(21-9)23-14(24-25)10-2-3-10)22-11-4-6-12(7-5-11)26(16,17,18,19)20/h4-8,10,22H,2-3H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365234
(CHEMBL1956278 | US9238653, Table 5, Compound 47)Show InChI InChI=1S/C16H14F3N5/c1-9-8-13(21-12-6-4-11(5-7-12)16(17,18)19)24-15(20-9)22-14(23-24)10-2-3-10/h4-8,10,21H,2-3H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365235
(CHEMBL1956277)Show InChI InChI=1S/C15H14ClN5/c1-9-7-13(18-12-4-2-3-11(16)8-12)21-15(17-9)19-14(20-21)10-5-6-10/h2-4,7-8,10,18H,5-6H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365236
(CHEMBL1956276)Show InChI InChI=1S/C15H14ClN5/c1-9-8-13(18-12-6-4-11(16)5-7-12)21-15(17-9)19-14(20-21)10-2-3-10/h4-8,10,18H,2-3H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365237
(CHEMBL1956275)Show SMILES CCC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C16H18F5N5S/c1-4-10(2)15-24-16-22-11(3)9-14(26(16)25-15)23-12-5-7-13(8-6-12)27(17,18,19,20)21/h5-10,23H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365238
(CHEMBL1956274)Show SMILES CCC(C)c1nc2nc(C)cc(Nc3ccc(cc3)C(F)(F)F)n2n1 Show InChI InChI=1S/C17H18F3N5/c1-4-10(2)15-23-16-21-11(3)9-14(25(16)24-15)22-13-7-5-12(6-8-13)17(18,19)20/h5-10,22H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365239
(CHEMBL1956273)Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2nc(nc2n1)C(C)(C)C Show InChI InChI=1S/C16H18F5N5S/c1-10-9-13(26-15(22-10)24-14(25-26)16(2,3)4)23-11-5-7-12(8-6-11)27(17,18,19,20)21/h5-9,23H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365240
(CHEMBL1956272)Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2nc(nc2n1)C(C)(C)C Show InChI InChI=1S/C17H18F3N5/c1-10-9-13(22-12-7-5-11(6-8-12)17(18,19)20)25-15(21-10)23-14(24-25)16(2,3)4/h5-9,22H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365241
(CHEMBL1956269 | US9238653, Table 5, Compound 51)Show SMILES CC(C)c1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C15H16F5N5S/c1-9(2)14-23-15-21-10(3)8-13(25(15)24-14)22-11-4-6-12(7-5-11)26(16,17,18,19)20/h4-9,22H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365242
(CHEMBL1956268 | US9238653, Table 5, Compound 45)Show InChI InChI=1S/C16H16F3N5/c1-9(2)14-22-15-20-10(3)8-13(24(15)23-14)21-12-6-4-11(5-7-12)16(17,18)19/h4-9,21H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365243
(CHEMBL1956265 | US9238653, Table 5, Compound 50)Show SMILES CCc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C14H14F5N5S/c1-3-12-22-14-20-9(2)8-13(24(14)23-12)21-10-4-6-11(7-5-10)25(15,16,17,18)19/h4-8,21H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365220
(CHEMBL1956473)Show SMILES CCOc1nc2nc(C)cc(Nc3ccc(cc3)S(F)(F)(F)(F)F)n2n1 Show InChI InChI=1S/C14H14F5N5OS/c1-3-25-14-22-13-20-9(2)8-12(24(13)23-14)21-10-4-6-11(7-5-10)26(15,16,17,18)19/h4-8,21H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50365221
(CHEMBL1956472)Show InChI InChI=1S/C15H14F3N5O/c1-3-24-14-21-13-19-9(2)8-12(23(13)22-14)20-11-6-4-10(5-7-11)15(16,17)18/h4-8,20H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay |
J Med Chem 54: 5540-61 (2011)
Article DOI: 10.1021/jm200592f
BindingDB Entry DOI: 10.7270/Q21N81M0 |
More data for this
Ligand-Target Pair | |
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