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Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'dowling' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50184767
PNG
(CHEMBL3824089)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
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0.800n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as su...


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284844
PNG
(2-Biphenyl-4-yl-3-methyl-quinoline-4-carboxylic ac...)
Show SMILES Cc1c(nc2ccccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO2/c1-15-21(23(25)26)19-9-5-6-10-20(19)24-22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,26)
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070857
PNG
(CHEMBL50499 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-n1ccc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C25H17FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-14H,1H3,(H,29,30)/p-1
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4.5n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284826
PNG
(CHEMBL288708 | Sodium; 2-biphenyl-4-yl-6-fluoro-3-...)
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)/p-1
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069968
PNG
(CHEMBL104209 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)/p-1
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8.30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284843
PNG
(2-Biphenyl-4-yl-3-methyl-6-trifluoromethyl-quinoli...)
Show SMILES Cc1c(nc2ccc(cc2c1C(O)=O)C(F)(F)F)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H16F3NO2/c1-14-21(23(29)30)19-13-18(24(25,26)27)11-12-20(19)28-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,29,30)
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8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069950
PNG
(CHEMBL321060 | Sodium; 9-fluoro-3-o-tolyl-5,6-dihy...)
Show SMILES Cc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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10n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284861
PNG
(2-Biphenyl-4-yl-6-fluoro-quinoline-4-carboxylic ac...)
Show SMILES OC(=O)c1cc(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H14FNO2/c23-17-10-11-20-18(12-17)19(22(25)26)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,25,26)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284834
PNG
(2-Biphenyl-4-yl-3,6-dimethyl-quinoline-4-carboxyli...)
Show SMILES Cc1ccc2nc(c(C)c(C(O)=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H19NO2/c1-15-8-13-21-20(14-15)22(24(26)27)16(2)23(25-21)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284867
PNG
(CHEMBL43639 | Sodium; 6-fluoro-2-(2'-fluoro-4'-hyd...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C23H15F2NO3/c1-12-21(23(28)29)18-10-15(24)6-9-20(18)26-22(12)14-4-2-13(3-5-14)17-8-7-16(27)11-19(17)25/h2-11,27H,1H3,(H,28,29)/p-1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069959
PNG
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
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12n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069959
PNG
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
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12n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284853
PNG
(2-Biphenyl-4-yl-6-fluoro-3-methoxy-quinoline-4-car...)
Show SMILES COc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16FNO3/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284858
PNG
(2-Biphenyl-4-yl-6-fluoro-3-methylsulfanyl-quinolin...)
Show SMILES CSc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16FNO2S/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069939
PNG
(CHEMBL106467 | Sodium; 9-fluoro-3-p-tolyl-6H-thioc...)
Show SMILES Cc1ccc(cc1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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13n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070838
PNG
(CHEMBL51082 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1
Show InChI InChI=1S/C25H19FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,29,30)/p-1
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15n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069951
PNG
(CHEMBL104302 | Sodium; 9-fluoro-3-phenyl-6H-thioch...)
Show SMILES [O-]C(=O)c1c2CSc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO2S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1
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17n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284838
PNG
(9-Fluoro-3-phenyl-5,6-dihydro-benzo[c]acridine-7-c...)
Show SMILES OC(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284862
PNG
(2-Biphenyl-4-yl-6-chloro-3-methyl-quinoline-4-carb...)
Show SMILES Cc1c(nc2ccc(Cl)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16ClNO2/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)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069943
PNG
(CHEMBL106515 | Sodium; 9-fluoro-3-(2-methoxy-pheny...)
Show SMILES COc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-22-5-3-2-4-17(22)14-6-9-18-15(12-14)7-10-19-23(25(28)29)20-13-16(26)8-11-21(20)27-24(18)19/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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20n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070832
PNG
(CHEMBL49129 | Sodium; 2-(biphenyl-3-yloxy)-6-fluor...)
Show SMILES Cc1c(Oc2cccc(c2)-c2ccccc2)nc2ccc(F)cc2c1C([O-])=O
Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-17(24)10-11-20(19)25-22(14)28-18-9-5-8-16(12-18)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)/p-1
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21n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070851
PNG
(CHEMBL48531 | Sodium; 6-fluoro-2-(6-methoxy-4-phen...)
Show SMILES COc1cc2N(CCc2c(c1)-c1ccccc1)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)21-12-17(27)8-9-22(21)28-25(15)29-11-10-19-20(16-6-4-3-5-7-16)13-18(32-2)14-23(19)29/h3-9,12-14H,10-11H2,1-2H3,(H,30,31)/p-1
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22n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070844
PNG
(CHEMBL49089 | Sodium; 6-fluoro-3-methyl-2-[1-methy...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N2O2/c1-14-23(26(34)35)20-12-17(28)9-10-22(20)32-24(14)21-13-33(2)25-18(7-4-8-19(21)25)15-5-3-6-16(11-15)27(29,30)31/h3-13H,1-2H3,(H,34,35)/p-1
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23n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070837
PNG
(CHEMBL49913 | Sodium; 6-fluoro-3-methyl-2-[4-(3-tr...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O2/c1-14-23(25(33)34)20-13-17(27)8-9-21(20)31-24(14)32-11-10-19-18(6-3-7-22(19)32)15-4-2-5-16(12-15)26(28,29)30/h2-9,12-13H,10-11H2,1H3,(H,33,34)/p-1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070841
PNG
(CHEMBL49697 | Sodium; 6-fluoro-2-[4-(2-fluoro-phen...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1F
Show InChI InChI=1S/C25H18F2N2O2/c1-14-23(25(30)31)19-13-15(26)9-10-21(19)28-24(14)29-12-11-18-16(6-4-8-22(18)29)17-5-2-3-7-20(17)27/h2-10,13H,11-12H2,1H3,(H,30,31)/p-1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284830
PNG
(CHEMBL38421 | Sodium; 6-fluoro-3-methyl-2-(4'-meth...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C24H18FNO2/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23/h3-13H,1-2H3,(H,27,28)/p-1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069948
PNG
(CHEMBL107209 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)
Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-18-4-2-3-14(12-18)15-5-8-19-16(11-15)6-9-20-23(25(28)29)21-13-17(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284846
PNG
(2-Biphenyl-4-yl-5-chloro-3-methyl-quinoline-4-carb...)
Show SMILES Cc1c(nc2cccc(Cl)c2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16ClNO2/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070846
PNG
(CHEMBL48244 | Sodium; 6-fluoro-3-methyl-2-(4-o-tol...)
Show SMILES Cc1ccccc1-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O2/c1-15-6-3-4-7-18(15)19-8-5-9-23-20(19)12-13-29(23)25-16(2)24(26(30)31)21-14-17(27)10-11-22(21)28-25/h3-11,14H,12-13H2,1-2H3,(H,30,31)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069958
PNG
(CHEMBL104146 | Sodium; 9-fluoro-3-o-tolyl-5H-6-thi...)
Show SMILES Cc1ccccc1-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-17(13)14-6-8-18-15(10-14)12-29-23-21(24(27)28)19-11-16(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070839
PNG
(CHEMBL48928 | Sodium; 6-fluoro-3-methyl-2-(5-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cccc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C27H18FNO2/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17/h2-15H,1H3,(H,30,31)/p-1
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26n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070833
PNG
(CHEMBL417722 | Sodium; 6-fluoro-3-methyl-2-(1-meth...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C26H19FN2O2/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,30,31)/p-1
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27n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069941
PNG
(CHEMBL321163 | Sodium; 9-fluoro-3-o-tolyl-6H-thioc...)
Show SMILES Cc1ccccc1-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-16(13)14-6-8-17-21(10-14)29-12-19-22(24(27)28)18-11-15(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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27n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284864
PNG
(2-(4-Cyclohexyl-phenyl)-6-fluoro-3-methyl-quinolin...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C23H22FNO2/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/h7-13,15H,2-6H2,1H3,(H,26,27)
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284860
PNG
(6-Fluoro-3-methyl-2-(4-phenoxy-phenyl)-quinoline-4...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-16(24)9-12-20(19)25-22(14)15-7-10-18(11-8-15)28-17-5-3-2-4-6-17/h2-13H,1H3,(H,26,27)
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070856
PNG
(CHEMBL51243 | Sodium; 6-fluoro-2-(6-fluoro-4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cc(F)cc2-c1ccccc1
Show InChI InChI=1S/C25H18F2N2O2/c1-14-23(25(30)31)20-11-16(26)7-8-21(20)28-24(14)29-10-9-18-19(12-17(27)13-22(18)29)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,30,31)/p-1
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30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284842
PNG
(2-Biphenyl-4-yl-3-ethyl-6-fluoro-quinoline-4-carbo...)
Show SMILES CCc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18FNO2/c1-2-19-22(24(27)28)20-14-18(25)12-13-21(20)26-23(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,27,28)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070848
PNG
(CHEMBL49214 | Sodium; 6-fluoro-2-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)20-14-16(27)10-11-21(20)28-25(15)29-13-12-18-17(7-5-8-22(18)29)19-6-3-4-9-23(19)32-2/h3-11,14H,12-13H2,1-2H3,(H,30,31)/p-1
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30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069971
PNG
(CHEMBL105175 | Sodium; 3-phenyl-9-trifluoromethyl-...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(cc12)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H16F3NO2/c26-25(27,28)17-8-11-21-20(13-17)22(24(30)31)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)29-21/h1-6,8-9,11-13H,7,10H2,(H,30,31)/p-1
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31n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070842
PNG
(CHEMBL297497 | Sodium; 6-fluoro-2-[7-(3-methoxy-ph...)
Show SMILES COc1cccc(c1)-c1cccc2c(cn(C)c12)-c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C27H21FN2O3/c1-15-24(27(31)32)21-13-17(28)10-11-23(21)29-25(15)22-14-30(2)26-19(8-5-9-20(22)26)16-6-4-7-18(12-16)33-3/h4-14H,1-3H3,(H,31,32)/p-1
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32n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069940
PNG
(CHEMBL320204 | Sodium; 9-fluoro-3-(2-fluoro-phenyl...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1F
Show InChI InChI=1S/C24H15F2NO2/c25-15-7-10-21-19(12-15)22(24(28)29)18-9-6-14-11-13(5-8-17(14)23(18)27-21)16-3-1-2-4-20(16)26/h1-5,7-8,10-12H,6,9H2,(H,28,29)/p-1
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34n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070854
PNG
(CHEMBL50279 | Sodium; 6-fluoro-2-[4-(3-methoxy-phe...)
Show SMILES COc1cccc(c1)-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)21-14-17(27)9-10-22(21)28-25(15)29-12-11-20-19(7-4-8-23(20)29)16-5-3-6-18(13-16)32-2/h3-10,13-14H,11-12H2,1-2H3,(H,30,31)/p-1
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34n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069960
PNG
(CHEMBL104136 | Sodium; 9-fluoro-3-m-tolyl-6H-thioc...)
Show SMILES Cc1cccc(c1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)6-8-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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37n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284855
PNG
(CHEMBL38242 | Sodium; 2-(4'-bromo-biphenyl-4-yl)-6...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H15BrFNO2/c1-13-21(23(27)28)19-12-18(25)10-11-20(19)26-22(13)16-4-2-14(3-5-16)15-6-8-17(24)9-7-15/h2-12H,1H3,(H,27,28)/p-1
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Article
38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284837
PNG
(2-(4-tert-Butyl-phenyl)-6-fluoro-3-methyl-quinolin...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H20FNO2/c1-12-18(20(24)25)16-11-15(22)9-10-17(16)23-19(12)13-5-7-14(8-6-13)21(2,3)4/h5-11H,1-4H3,(H,24,25)
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070835
PNG
(CHEMBL49840 | Sodium; 6-fluoro-2-[7-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1cccc2c(cn(C)c12)-c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C27H21FN2O3/c1-15-24(27(31)32)20-13-16(28)11-12-22(20)29-25(15)21-14-30(2)26-18(8-6-9-19(21)26)17-7-4-5-10-23(17)33-3/h4-14H,1-3H3,(H,31,32)/p-1
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40n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2Z89BJS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069944
PNG
(CHEMBL106865 | Sodium; 9-fluoro-3-p-tolyl-5,6-dihy...)
Show SMILES Cc1ccc(cc1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO2/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20-23(25(28)29)21-13-18(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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40n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069949
PNG
(CHEMBL322274 | Sodium; 9-fluoro-3-(2-trifluorometh...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H15F4NO2/c26-15-7-10-21-19(12-15)22(24(31)32)18-9-6-14-11-13(5-8-17(14)23(18)30-21)16-3-1-2-4-20(16)25(27,28)29/h1-5,7-8,10-12H,6,9H2,(H,31,32)/p-1
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40n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)


BindingDB Entry DOI: 10.7270/Q21C1W19
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201921
PNG
(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)
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Article
40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Bioorg Med Chem Lett 5: 1549-1554 (1995)


Article DOI: 10.1016/0960-894X(95)00252-O
BindingDB Entry DOI: 10.7270/Q29K4B55
More data for this
Ligand-Target Pair
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