Found 91 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)) | BDBM50201921
(2-Biphenyl-4-yl-6-fluoro-3-hydroxy-quinoline-4-car...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H14FNO3/c23-16-10-11-18-17(12-16)19(22(26)27)21(25)20(24-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201945
(6-fluoro-3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H14FNO4/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201923
(3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-quinoline-4...)Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H15NO4/c24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)20-21(25)19(22(26)27)17-3-1-2-4-18(17)23-20/h1-12,24-25H,(H,26,27) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201919
(6-fluoro-3-hydroxy-2-(4'-hydroxy-biphenyl-4-yl)-qu...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H14FNO4/c23-15-7-10-18-17(11-15)19(22(27)28)21(26)20(24-18)14-3-1-12(2-4-14)13-5-8-16(25)9-6-13/h1-11,25-26H,(H,27,28) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201925
(2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARB...)Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201905
(3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxyli...)Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201949
(2-biphenyl-4-yl-3-hydroxy-quinoline-4-carboxylic a...)Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H15NO3/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,24H,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201918
(3-amino-2-biphenyl-4-yl-6-fluoro-quinoline-4-carbo...)Show SMILES Nc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H15FN2O2/c23-16-10-11-18-17(12-16)19(22(26)27)20(24)21(25-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,24H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201939
(6-fluoro-3-hydroxy-2-(4-(phenylthio)phenyl)quinoli...)Show SMILES OC(=O)c1c(O)c(nc2ccc(F)cc12)-c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C22H14FNO3S/c23-14-8-11-18-17(12-14)19(22(26)27)21(25)20(24-18)13-6-9-16(10-7-13)28-15-4-2-1-3-5-15/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201900
(6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)Show InChI InChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201940
(2-(4-chlorophenyl)-3-hydroxy-6-methylquinoline-4-c...)Show InChI InChI=1S/C17H12ClNO3/c1-9-2-7-13-12(8-9)14(17(21)22)16(20)15(19-13)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201913
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)qu...)Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-10-4-1-8(2-5-10)14-15(23)13(16(24)25)11-7-9(17(19,20)21)3-6-12(11)22-14/h1-7,23H,(H,24,25) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201934
(2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-c...)Show InChI InChI=1S/C16H9ClFNO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201930
(6-fluoro-3-hydroxy-2-(4-hydroxyphenyl)quinoline-4-...)Show InChI InChI=1S/C16H10FNO4/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(18-12)8-1-4-10(19)5-2-8/h1-7,19-20H,(H,21,22) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201892
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethoxy)q...)Show SMILES OC(=O)c1c(O)c(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO4/c18-9-3-1-8(2-4-9)14-15(23)13(16(24)25)11-7-10(26-17(19,20)21)5-6-12(11)22-14/h1-7,23H,(H,24,25) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C8 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201920
(2-(4-chlorophenyl)-3-hydroxy-6,8-dimethylquinoline...)Show SMILES Cc1cc(C)c2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-7-10(2)15-13(8-9)14(18(22)23)17(21)16(20-15)11-3-5-12(19)6-4-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C8 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201927
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201936
(2-(4-chlorophenyl)-3-hydroxy-7-methylquinoline-4-c...)Show InChI InChI=1S/C17H12ClNO3/c1-9-2-7-12-13(8-9)19-15(16(20)14(12)17(21)22)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22) | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201897
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethyl)pheny...)Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H14F3NO3/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)19(20,21)22/h3-8,24H,1-2H3,(H,25,26) | 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 | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201931
(6-bromo-2-(4-chlorophenyl)-3-hydroxy-8-methylquino...)Show SMILES Cc1cc(Br)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrClNO3/c1-8-6-10(18)7-12-13(17(22)23)16(21)15(20-14(8)12)9-2-4-11(19)5-3-9/h2-7,21H,1H3,(H,22,23) | 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 |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201909
(2-(4-chlorophenyl)-3-hydroxy-6-methoxyquinoline-4-...)Show InChI InChI=1S/C17H12ClNO4/c1-23-11-6-7-13-12(8-11)14(17(21)22)16(20)15(19-13)9-2-4-10(18)5-3-9/h2-8,20H,1H3,(H,21,22) | 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 | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201898
(2-(4-chlorophenyl)-3-hydroxy-5-methylquinoline-4-c...)Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(9)14(17(21)22)16(20)15(19-12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22) | 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 | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201914
(2-(4-bromophenyl)-3-hydroxy-7,8-dimethylquinoline-...)Show InChI InChI=1S/C18H14BrNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50324667
(1,6-bis[3-(3-carboxymethylphenyl)-4-(2-R-D-mannopy...)Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | 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 | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201916
(8-sec-butyl-2-(4-chlorophenyl)-3-hydroxyquinoline-...)Show SMILES CCC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClNO3/c1-3-11(2)14-5-4-6-15-16(20(24)25)19(23)17(22-18(14)15)12-7-9-13(21)10-8-12/h4-11,23H,3H2,1-2H3,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201931
(6-bromo-2-(4-chlorophenyl)-3-hydroxy-8-methylquino...)Show SMILES Cc1cc(Br)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrClNO3/c1-8-6-10(18)7-12-13(17(22)23)16(21)15(20-14(8)12)9-2-4-11(19)5-3-9/h2-7,21H,1H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201933
(2-(4-chlorophenyl)-3-hydroxy-8-(trifluoromethoxy)q...)Show SMILES OC(=O)c1c(O)c(nc2c(OC(F)(F)F)cccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO4/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)26-17(19,20)21/h1-7,23H,(H,24,25) | 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 | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201926
(8-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)Show InChI InChI=1S/C16H9BrClNO3/c17-11-3-1-2-10-12(16(21)22)15(20)13(19-14(10)11)8-4-6-9(18)7-5-8/h1-7,20H,(H,21,22) | 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 | 1.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201946
(2-(4-chlorophenyl)-3-hydroxy-6-(thiophen-3-yl)quin...)Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)-c1ccsc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H12ClNO3S/c21-14-4-1-11(2-5-14)18-19(23)17(20(24)25)15-9-12(3-6-16(15)22-18)13-7-8-26-10-13/h1-10,23H,(H,24,25) | 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 | 1.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201941
(6-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyqu...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H14ClNO5/c24-16-8-5-13(6-9-16)20-21(26)19(23(29)30)17-11-15(7-10-18(17)25-20)12-1-3-14(4-2-12)22(27)28/h1-11,26H,(H,27,28)(H,29,30) | 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 | 1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201938
(2-(4-chlorophenyl)-3-hydroxy-8-trifluoromethylquin...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)17(19,20)21/h1-7,23H,(H,24,25) | 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 | 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201895
(8-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-c...)Show InChI InChI=1S/C16H9Cl2NO3/c17-9-6-4-8(5-7-9)13-15(20)12(16(21)22)10-2-1-3-11(18)14(10)19-13/h1-7,20H,(H,21,22) | 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 | 1.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201935
(2-(4-chlorophenyl)-3-hydroxy-7-methoxyquinoline-4-...)Show InChI InChI=1S/C17H12ClNO4/c1-23-11-6-7-12-13(8-11)19-15(16(20)14(12)17(21)22)9-2-4-10(18)5-3-9/h2-8,20H,1H3,(H,21,22) | 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 | 1.51E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201947
(2-(4-chlorophenyl)-3-hydroxy-8-(thien-3-yl)quinoli...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccsc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H12ClNO3S/c21-13-6-4-11(5-7-13)17-19(23)16(20(24)25)15-3-1-2-14(18(15)22-17)12-8-9-26-10-12/h1-10,23H,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201944
(3-hydroxy-7,8-dimethyl-2-(3-(trifluoromethoxy)phen...)Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H14F3NO4/c1-9-6-7-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-3-5-12(8-11)27-19(20,21)22/h3-8,24H,1-2H3,(H,25,26) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201893
(2-(4-chlorophenyl)-3-hydroxy-8-methylquinoline-4-c...)Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(17(21)22)16(20)15(19-14(9)12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22) | 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 | 2.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201928
(2-(4-chlorophenyl)-3-hydroxy-8-isopropylquinoline-...)Show SMILES CC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClNO3/c1-10(2)13-4-3-5-14-15(19(23)24)18(22)16(21-17(13)14)11-6-8-12(20)9-7-11/h3-10,22H,1-2H3,(H,23,24) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201906
(2-(4-chlorophenyl)-3-hydroxy-8-methyl-6-(trifluoro...)Show SMILES Cc1cc(OC(F)(F)F)cc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H11ClF3NO4/c1-8-6-11(27-18(20,21)22)7-12-13(17(25)26)16(24)15(23-14(8)12)9-2-4-10(19)5-3-9/h2-7,24H,1H3,(H,25,26) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201922
(2-(4-chlorophenyl)-3-hydroxy-6-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-12-15(8-11-18(17)24-20)13-4-2-1-3-5-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201932
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethoxy)phen...)Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H14F3NO4/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)27-19(20,21)22/h3-8,24H,1-2H3,(H,25,26) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201911
(3-hydroxy-2-(4-isopropylphenyl)-7,8-dimethylquinol...)Show SMILES CC(C)c1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O Show InChI InChI=1S/C21H21NO3/c1-11(2)14-6-8-15(9-7-14)19-20(23)17(21(24)25)16-10-5-12(3)13(4)18(16)22-19/h5-11,23H,1-4H3,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201942
(2-(4-(diethylamino)phenyl)-3-hydroxy-7,8-dimethylq...)Show SMILES CCN(CC)c1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O Show InChI InChI=1S/C22H24N2O3/c1-5-24(6-2)16-10-8-15(9-11-16)20-21(25)18(22(26)27)17-12-7-13(3)14(4)19(17)23-20/h7-12,25H,5-6H2,1-4H3,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201938
(2-(4-chlorophenyl)-3-hydroxy-8-trifluoromethylquin...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)17(19,20)21/h1-7,23H,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201928
(2-(4-chlorophenyl)-3-hydroxy-8-isopropylquinoline-...)Show SMILES CC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClNO3/c1-10(2)13-4-3-5-14-15(19(23)24)18(22)16(21-17(13)14)11-6-8-12(20)9-7-11/h3-10,22H,1-2H3,(H,23,24) | 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 | 2.83E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201910
(2-(4-chlorophenyl)-8-(dimethylaminophenyl)-3-hydro...)Show SMILES CN(C)c1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19ClN2O3/c1-27(2)17-12-8-14(9-13-17)18-4-3-5-19-20(24(29)30)23(28)21(26-22(18)19)15-6-10-16(25)11-7-15/h3-13,28H,1-2H3,(H,29,30) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201897
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethyl)pheny...)Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H14F3NO3/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)19(20,21)22/h3-8,24H,1-2H3,(H,25,26) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201916
(8-sec-butyl-2-(4-chlorophenyl)-3-hydroxyquinoline-...)Show SMILES CCC(C)c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClNO3/c1-3-11(2)14-5-4-6-15-16(20(24)25)19(23)17(22-18(14)15)12-7-9-13(21)10-8-12/h4-11,23H,3H2,1-2H3,(H,24,25) | 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 | 3.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Dihydroorotate dehydrogenase (quinone), mitochondrial
(Homo sapiens (Human)) | BDBM50201948
(2-(4-chlorophenyl)-3-hydroxy-8-methoxyquinoline-4-...)Show InChI InChI=1S/C17H12ClNO4/c1-23-12-4-2-3-11-13(17(21)22)16(20)14(19-15(11)12)9-5-7-10(18)8-6-9/h2-8,20H,1H3,(H,21,22) | 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 | 3.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201922
(2-(4-chlorophenyl)-3-hydroxy-6-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-12-15(8-11-18(17)24-20)13-4-2-1-3-5-13/h1-12,25H,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201914
(2-(4-bromophenyl)-3-hydroxy-7,8-dimethylquinoline-...)Show InChI InChI=1S/C18H14BrNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201917
(2-(3-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-6-7-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-3-5-12(19)8-11/h3-8,21H,1-2H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201902
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50201901
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2A6 |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201920
(2-(4-chlorophenyl)-3-hydroxy-6,8-dimethylquinoline...)Show SMILES Cc1cc(C)c2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO3/c1-9-7-10(2)15-13(8-9)14(18(22)23)17(21)16(20-15)11-3-5-12(19)6-4-11/h3-8,21H,1-2H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201899
(2-(4-chlorophenyl)-8-ethyl-3-hydroxyquinoline-4-ca...)Show InChI InChI=1S/C18H14ClNO3/c1-2-10-4-3-5-13-14(18(22)23)17(21)16(20-15(10)13)11-6-8-12(19)9-7-11/h3-9,21H,2H2,1H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201933
(2-(4-chlorophenyl)-3-hydroxy-8-(trifluoromethoxy)q...)Show SMILES OC(=O)c1c(O)c(nc2c(OC(F)(F)F)cccc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO4/c18-9-6-4-8(5-7-9)13-15(23)12(16(24)25)10-2-1-3-11(14(10)22-13)26-17(19,20)21/h1-7,23H,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201895
(8-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-c...)Show InChI InChI=1S/C16H9Cl2NO3/c17-9-6-4-8(5-7-9)13-15(20)12(16(21)22)10-2-1-3-11(18)14(10)19-13/h1-7,20H,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201926
(8-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)Show InChI InChI=1S/C16H9BrClNO3/c17-11-3-1-2-10-12(16(21)22)15(20)13(19-14(10)11)8-4-6-9(18)7-5-8/h1-7,20H,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201892
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethoxy)q...)Show SMILES OC(=O)c1c(O)c(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO4/c18-9-3-1-8(2-4-9)14-15(23)13(16(24)25)11-7-10(26-17(19,20)21)5-6-12(11)22-14/h1-7,23H,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201893
(2-(4-chlorophenyl)-3-hydroxy-8-methylquinoline-4-c...)Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(17(21)22)16(20)15(19-14(9)12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201900
(6-bromo-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)Show InChI InChI=1S/C16H9BrClNO3/c17-9-3-6-12-11(7-9)13(16(21)22)15(20)14(19-12)8-1-4-10(18)5-2-8/h1-7,20H,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201943
(3-hydroxy-7,8-dimethyl-2-(4-morpholinophenyl)quino...)Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C22H22N2O4/c1-13-3-8-17-18(22(26)27)21(25)20(23-19(17)14(13)2)15-4-6-16(7-5-15)24-9-11-28-12-10-24/h3-8,25H,9-12H2,1-2H3,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201894
(3-hydroxy-7,8-dimethyl-2-p-tolylquinoline-4-carbox...)Show InChI InChI=1S/C19H17NO3/c1-10-4-7-13(8-5-10)17-18(21)15(19(22)23)14-9-6-11(2)12(3)16(14)20-17/h4-9,21H,1-3H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201904
(3-hydroxy-2-(4-methoxyphenyl)-7,8-dimethylquinolin...)Show InChI InChI=1S/C19H17NO4/c1-10-4-9-14-15(19(22)23)18(21)17(20-16(14)11(10)2)12-5-7-13(24-3)8-6-12/h4-9,21H,1-3H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201896
(2-(4-chlorophenyl)-3-hydroxy-7-isopropylquinoline-...)Show SMILES CC(C)c1ccc2c(C(O)=O)c(O)c(nc2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16ClNO3/c1-10(2)12-5-8-14-15(9-12)21-17(18(22)16(14)19(23)24)11-3-6-13(20)7-4-11/h3-10,22H,1-2H3,(H,23,24) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201929
(2-(4-chlorophenyl)-3,6-dihydroxyquinoline-4-carbox...)Show InChI InChI=1S/C16H10ClNO4/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(19)5-6-12(11)18-14/h1-7,19-20H,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201950
(8-(4-carboxyphenyl)-2-(4-chlorophenyl)-3-hydroxyqu...)Show SMILES OC(=O)c1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H14ClNO5/c24-15-10-8-13(9-11-15)19-21(26)18(23(29)30)17-3-1-2-16(20(17)25-19)12-4-6-14(7-5-12)22(27)28/h1-11,26H,(H,27,28)(H,29,30) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201924
(3-hydroxy-7,8-dimethyl-2-phenylquinoline-4-carboxy...)Show InChI InChI=1S/C18H15NO3/c1-10-8-9-13-14(18(21)22)17(20)16(19-15(13)11(10)2)12-6-4-3-5-7-12/h3-9,20H,1-2H3,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201913
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethyl)qu...)Show SMILES OC(=O)c1c(O)c(nc2ccc(cc12)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H9ClF3NO3/c18-10-4-1-8(2-5-10)14-15(23)13(16(24)25)11-7-9(17(19,20)21)3-6-12(11)22-14/h1-7,23H,(H,24,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201908
(2-(4-chlorophenyl)-3-hydroxy-7-phenylquinoline-4-c...)Show SMILES OC(=O)c1c(O)c(nc2cc(ccc12)-c1ccccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H14ClNO3/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-11-8-15(12-18(17)24-20)13-4-2-1-3-5-13/h1-12,25H,(H,26,27) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201903
(2-(4-chlorophenyl)-3-hydroxy-8-(4-hydroxymethylphe...)Show SMILES OCc1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H16ClNO4/c24-16-10-8-15(9-11-16)20-22(27)19(23(28)29)18-3-1-2-17(21(18)25-20)14-6-4-13(12-26)5-7-14/h1-11,26-27H,12H2,(H,28,29) | NCI pathway
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201915
(6-amino-2-(4-chlorophenyl)-3-hydroxyquinoline-4-ca...)Show InChI InChI=1S/C16H11ClN2O3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,18H2,(H,21,22) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201912
(3-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethylquinolin...)Show InChI InChI=1S/C18H15NO4/c1-9-3-8-13-14(18(22)23)17(21)16(19-15(13)10(9)2)11-4-6-12(20)7-5-11/h3-8,20-21H,1-2H3,(H,22,23) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201937
(2-(4-chlorophenyl)-3-hydroxyquinoline-4-carboxylic...)Show InChI InChI=1S/C16H10ClNO3/c17-10-7-5-9(6-8-10)14-15(19)13(16(20)21)11-3-1-2-4-12(11)18-14/h1-8,19H,(H,20,21) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
P-selectin glycoprotein ligand 1
(Homo sapiens (Human)) | BDBM50201927
(3-hydroxy-2-phenylquinoline-4-carboxylic acid | CH...)Show InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20) | NCI pathway
Reactome pathway
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells |
J Med Chem 50: 21-39 (2007)
Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV |
More data for this
Ligand-Target Pair | |
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