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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: A5K1N1   
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 (DHODH)


(Plasmodium vivax)
BDBM92606
PNG
(DHOD Inhibitor, 5 | US8703811, 6)
Show SMILES CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C
Show InChI InChI=1S/C18H23NO3/c1-5-21-15-9-7-14(8-10-15)11-16-12(3)17(19-13(16)4)18(20)22-6-2/h7-10,19H,5-6,11H2,1-4H3
KEGG

UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Assay was determined using a continuous assay.


J Biol Chem 283: 35078-85 (2008)


Article DOI: 10.1074/jbc.M804990200
BindingDB Entry DOI: 10.7270/Q2VH5MFQ
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92606
PNG
(DHOD Inhibitor, 5 | US8703811, 6)
Show SMILES CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C
Show InChI InChI=1S/C18H23NO3/c1-5-21-15-9-7-14(8-10-15)11-16-12(3)17(19-13(16)4)18(20)22-6-2/h7-10,19H,5-6,11H2,1-4H3
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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College

US Patent


Assay Description
Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...


US Patent US8703811 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3Z7P
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92605
PNG
(DHOD Inhibitor, 4 | US8703811, 5)
Show SMILES O=C(NC1CC1)c1ccc(s1)N1CCSc2ccccc12
Show InChI InChI=1S/C16H16N2OS2/c19-16(17-11-5-6-11)14-7-8-15(21-14)18-9-10-20-13-4-2-1-3-12(13)18/h1-4,7-8,11H,5-6,9-10H2,(H,17,19)
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US Patent
n/an/a 280n/an/an/an/an/an/a



Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College

US Patent


Assay Description
Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...


US Patent US8703811 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3Z7P
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92605
PNG
(DHOD Inhibitor, 4 | US8703811, 5)
Show SMILES O=C(NC1CC1)c1ccc(s1)N1CCSc2ccccc12
Show InChI InChI=1S/C16H16N2OS2/c19-16(17-11-5-6-11)14-7-8-15(21-14)18-9-10-20-13-4-2-1-3-12(13)18/h1-4,7-8,11H,5-6,9-10H2,(H,17,19)
KEGG

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Assay was determined using a continuous assay.


J Biol Chem 283: 35078-85 (2008)


Article DOI: 10.1074/jbc.M804990200
BindingDB Entry DOI: 10.7270/Q2VH5MFQ
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92604
PNG
(DHOD Inhibitor, 3 | US8703811, 1)
Show SMILES CCCNC(=O)c1ccc(s1)-n1c(C)cc2ccccc12
Show InChI InChI=1S/C17H18N2OS/c1-3-10-18-17(20)15-8-9-16(21-15)19-12(2)11-13-6-4-5-7-14(13)19/h4-9,11H,3,10H2,1-2H3,(H,18,20)
KEGG

UniProtKB/TrEMBL

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PC sid
UniChem
Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Assay was determined using a continuous assay.


J Biol Chem 283: 35078-85 (2008)


Article DOI: 10.1074/jbc.M804990200
BindingDB Entry DOI: 10.7270/Q2VH5MFQ
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92604
PNG
(DHOD Inhibitor, 3 | US8703811, 1)
Show SMILES CCCNC(=O)c1ccc(s1)-n1c(C)cc2ccccc12
Show InChI InChI=1S/C17H18N2OS/c1-3-10-18-17(20)15-8-9-16(21-15)19-12(2)11-13-6-4-5-7-14(13)19/h4-9,11H,3,10H2,1-2H3,(H,18,20)
KEGG

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 420n/an/an/an/an/an/a



Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College

US Patent


Assay Description
Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...


US Patent US8703811 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3Z7P
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92603
PNG
(DHOD Inhibitor, 2 | US8703811, 3)
Show SMILES CCCCCC1CCCc2c(O)c3ccccc3nc12
Show InChI InChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20)
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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 510n/an/an/an/an/an/a



Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College

US Patent


Assay Description
Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...


US Patent US8703811 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3Z7P
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92603
PNG
(DHOD Inhibitor, 2 | US8703811, 3)
Show SMILES CCCCCC1CCCc2c(O)c3ccccc3nc12
Show InChI InChI=1S/C18H23NO/c1-2-3-4-8-13-9-7-11-15-17(13)19-16-12-6-5-10-14(16)18(15)20/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,19,20)
KEGG

UniProtKB/TrEMBL

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PC sid
UniChem
Article
PubMed
n/an/a 510n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Assay was determined using a continuous assay.


J Biol Chem 283: 35078-85 (2008)


Article DOI: 10.1074/jbc.M804990200
BindingDB Entry DOI: 10.7270/Q2VH5MFQ
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92602
PNG
(DHOD Inhibitor, 1 | US8703811, 2)
Show SMILES Cc1ccccc1C=Cc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)
KEGG

UniProtKB/TrEMBL

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US Patent
n/an/a 5.60E+3n/an/an/an/an/an/a



Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College

US Patent


Assay Description
Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...


US Patent US8703811 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3Z7P
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM92602
PNG
(DHOD Inhibitor, 1 | US8703811, 2)
Show SMILES Cc1ccccc1C=Cc1cc(O)c2ccccc2n1
Show InChI InChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)
KEGG

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Assay was determined using a continuous assay.


J Biol Chem 283: 35078-85 (2008)


Article DOI: 10.1074/jbc.M804990200
BindingDB Entry DOI: 10.7270/Q2VH5MFQ
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium vivax)
BDBM120364
PNG
(US8703811, 4)
Show SMILES Fc1cc(I)ccc1Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C15H9ClFIN2/c16-9-1-3-11-13(5-6-19-15(11)7-9)20-14-4-2-10(18)8-12(14)17/h1-8H,(H,19,20)
KEGG

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Genzyme Corporation; Massachusetts Institute of Technology; President and Fellows of Harvard College

US Patent


Assay Description
Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Al...


US Patent US8703811 (2014)


BindingDB Entry DOI: 10.7270/Q2WD3Z7P
More data for this
Ligand-Target Pair