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Compile Data Set for Download or QSAR

Found 26 hits from Amirall, S.A.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119831
PNG
(US8691852, 60)
Show SMILES COc1cccc(c1)-c1c(F)c(F)c(Nc2ncccc2C(O)=O)c(F)c1F
Show InChI InChI=1S/C19H12F4N2O3/c1-28-10-5-2-4-9(8-10)12-13(20)15(22)17(16(23)14(12)21)25-18-11(19(26)27)6-3-7-24-18/h2-8H,1H3,(H,24,25)(H,26,27)
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n/an/a 3n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119826
PNG
(US8691852, 52)
Show SMILES OC(=O)c1cc(cnc1Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1)C1CC1
Show InChI InChI=1S/C22H15F5N2O3/c23-17-8-13(12-2-1-3-15(6-12)32-22(25,26)27)9-18(24)19(17)29-20-16(21(30)31)7-14(10-28-20)11-4-5-11/h1-3,6-11H,4-5H2,(H,28,29)(H,30,31)
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n/an/a 4n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119829
PNG
(US8691852, 57)
Show SMILES Cc1c(F)c(Nc2ncccc2C(O)=O)c(F)cc1-c1ccccc1Cl
Show InChI InChI=1S/C19H13ClF2N2O2/c1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18/h2-9H,1H3,(H,23,24)(H,25,26)
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n/an/a 4n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119827
PNG
(US8691852, 54)
Show SMILES OC(=O)c1cc(cnc1Nc1c(F)cc(cc1F)-c1ccccc1Cl)C1CC1
Show InChI InChI=1S/C21H15ClF2N2O2/c22-16-4-2-1-3-14(16)12-8-17(23)19(18(24)9-12)26-20-15(21(27)28)7-13(10-25-20)11-5-6-11/h1-4,7-11H,5-6H2,(H,25,26)(H,27,28)
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n/an/a 5n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119824
PNG
(US8691852, 48)
Show SMILES Cc1c(F)c(Nc2ncccc2C(O)=O)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C19H14F2N2O2/c1-11-14(12-6-3-2-4-7-12)10-15(20)17(16(11)21)23-18-13(19(24)25)8-5-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 5n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119825
PNG
(US8691852, 50)
Show SMILES OC(=O)c1cc(cnc1Nc1c(F)cc(cc1F)-c1cccc(OC2CC2)c1)C1CC1
Show InChI InChI=1S/C24H20F2N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30)
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n/an/a 6n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119828
PNG
(US8691852, 56)
Show SMILES Cc1c(F)c(Nc2ncccc2C(O)=O)c(F)cc1-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H13F5N2O3/c1-10-14(11-4-2-5-12(8-11)30-20(23,24)25)9-15(21)17(16(10)22)27-18-13(19(28)29)6-3-7-26-18/h2-9H,1H3,(H,26,27)(H,28,29)
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n/an/a 6n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119830
PNG
(US8691852, 58)
Show SMILES OC(=O)c1cc(Cl)cnc1Nc1c(F)cc(cc1F)-c1ccccc1
Show InChI InChI=1S/C18H11ClF2N2O2/c19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-9H,(H,22,23)(H,24,25)
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n/an/a 8n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119832
PNG
(US8691852, 61)
Show SMILES Cc1ccccc1-c1cc(F)c(Nc2ncccc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H14F2N2O2/c1-11-5-2-3-6-13(11)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)7-4-8-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 11n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119818
PNG
(US8691852, 35)
Show SMILES COc1cccc(c1)-c1cc(F)c(Nc2ncc(C)cc2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H16F2N2O3/c1-11-6-15(20(25)26)19(23-10-11)24-18-16(21)8-13(9-17(18)22)12-4-3-5-14(7-12)27-2/h3-10H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 12n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119820
PNG
(US8691852, 40)
Show SMILES CCc1cnc(Nc2c(F)cc(cc2F)-c2cccc(OC)c2)c(c1)C(O)=O
Show InChI InChI=1S/C21H18F2N2O3/c1-3-12-7-16(21(26)27)20(24-11-12)25-19-17(22)9-14(10-18(19)23)13-5-4-6-15(8-13)28-2/h4-11H,3H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 12n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119814
PNG
(US8691852, 23)
Show SMILES [Li]OC(=O)c1ccncc1Nc1ccc(cc1OC(F)(F)F)-c1cccc(OC)c1
Show InChI InChI=1S/C20H15F3N2O4.Li/c1-28-14-4-2-3-12(9-14)13-5-6-16(18(10-13)29-20(21,22)23)25-17-11-24-8-7-15(17)19(26)27;/h2-11,25H,1H3,(H,26,27);/q;+1/p-1
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n/an/a 14n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119812
PNG
(US8691852, 20)
Show SMILES COc1cccc(c1)-c1cc(F)c(Nc2ncccc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 15n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119823
PNG
(US8691852, 47)
Show SMILES OC(=O)c1cccnc1Nc1c(F)cc(cc1F)-c1cccc(OC2CC2)c1
Show InChI InChI=1S/C21H16F2N2O3/c22-17-10-13(12-3-1-4-15(9-12)28-14-6-7-14)11-18(23)19(17)25-20-16(21(26)27)5-2-8-24-20/h1-5,8-11,14H,6-7H2,(H,24,25)(H,26,27)
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n/an/a 17n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119813
PNG
(US8691852, 21)
Show SMILES [Li]OC(=O)c1ccncc1Nc1ccc(cc1F)-c1cccc(OCC)c1
Show InChI InChI=1S/C20H17FN2O3.Li/c1-2-26-15-5-3-4-13(10-15)14-6-7-18(17(21)11-14)23-19-12-22-9-8-16(19)20(24)25;/h3-12,23H,2H2,1H3,(H,24,25);/q;+1/p-1
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n/an/a 19n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119811
PNG
(US8691852, 19)
Show SMILES CCOc1cccc(c1)-c1cc(F)c(Nc2ncccc2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H16F2N2O3/c1-2-27-14-6-3-5-12(9-14)13-10-16(21)18(17(22)11-13)24-19-15(20(25)26)7-4-8-23-19/h3-11H,2H2,1H3,(H,23,24)(H,25,26)
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n/an/a 19n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119821
PNG
(US8691852, 42)
Show SMILES CCOc1cccc(c1)-c1cc(F)c(Nc2ncc(cc2C(O)=O)C2CC2)cc1F
Show InChI InChI=1S/C23H20F2N2O3/c1-2-30-16-5-3-4-14(8-16)17-10-20(25)21(11-19(17)24)27-22-18(23(28)29)9-15(12-26-22)13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,27)(H,28,29)
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n/an/a 23n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119817
PNG
(US8691852, 34)
Show SMILES COc1cccc(c1)-c1ccc(Nc2ncc(cc2C(O)=O)C2CC2)c(F)c1
Show InChI InChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27)
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n/an/a 33n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119822
PNG
(US8691852, 45)
Show SMILES COc1cccc(c1F)-c1cc(F)c(Nc2ncccc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H13F3N2O3/c1-27-15-6-2-4-11(16(15)22)10-8-13(20)17(14(21)9-10)24-18-12(19(25)26)5-3-7-23-18/h2-9H,1H3,(H,23,24)(H,25,26)
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n/an/a 53n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119808
PNG
(US8691852, 6)
Show SMILES COc1cccc(c1)-c1cc(F)c(Nc2ncccc2C(O)=O)cc1F
Show InChI InChI=1S/C19H14F2N2O3/c1-26-12-5-2-4-11(8-12)14-9-16(21)17(10-15(14)20)23-18-13(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 88n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119810
PNG
(US8691852, 17)
Show SMILES OC(=O)c1cccnc1Nc1c(F)cc(cc1F)-c1cccc(OC2CCC2)c1
Show InChI InChI=1S/C22H18F2N2O3/c23-18-11-14(13-4-1-7-16(10-13)29-15-5-2-6-15)12-19(24)20(18)26-21-17(22(27)28)8-3-9-25-21/h1,3-4,7-12,15H,2,5-6H2,(H,25,26)(H,27,28)
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n/an/a 90n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119819
PNG
(US8691852, 37)
Show SMILES COc1cccc(c1)-c1cc(F)c(Nc2ncccc2C(O)=O)cc1C
Show InChI InChI=1S/C20H17FN2O3/c1-12-9-18(23-19-15(20(24)25)7-4-8-22-19)17(21)11-16(12)13-5-3-6-14(10-13)26-2/h3-11H,1-2H3,(H,22,23)(H,24,25)
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n/an/a 99n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119816
PNG
(US8691852, 33)
Show SMILES Cc1cnc(Nc2ccc(cc2F)-c2cccc(OC(F)(F)F)c2)c(c1)C(O)=O
Show InChI InChI=1S/C20H14F4N2O3/c1-11-7-15(19(27)28)18(25-10-11)26-17-6-5-13(9-16(17)21)12-3-2-4-14(8-12)29-20(22,23)24/h2-10H,1H3,(H,25,26)(H,27,28)
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n/an/a 110n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119809
PNG
(US8691852, 13)
Show SMILES COc1cccc(c1)-c1ccc(Nc2ncccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C19H15ClN2O3/c1-25-14-5-2-4-12(10-14)13-7-8-17(16(20)11-13)22-18-15(19(23)24)6-3-9-21-18/h2-11H,1H3,(H,21,22)(H,23,24)
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n/an/a 150n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119815
PNG
(US8691852, 24)
Show SMILES [Li]OC(=O)c1ccncc1Nc1ccc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H12F4N2O3.Li/c20-15-9-12(11-2-1-3-13(8-11)28-19(21,22)23)4-5-16(15)25-17-10-24-7-6-14(17)18(26)27;/h1-10,25H,(H,26,27);/q;+1/p-1
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n/an/a 200n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM119807
PNG
(US8691852, 2)
Show SMILES CCOc1cccc(c1)-c1ccc(Nc2ncccc2C(O)=O)c(F)c1
Show InChI InChI=1S/C20H17FN2O3/c1-2-26-15-6-3-5-13(11-15)14-8-9-18(17(21)12-14)23-19-16(20(24)25)7-4-10-22-19/h3-12H,2H2,1H3,(H,22,23)(H,24,25)
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n/an/a 200n/an/an/an/a8.0n/a



Amirall, S.A.

US Patent


Assay Description
DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (...


US Patent US8691852 (2014)


BindingDB Entry DOI: 10.7270/Q2GB22QD
More data for this
Ligand-Target Pair