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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'acklam' and Initial = 'p'   
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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397816
PNG
(CHEMBL2177861)
Show SMILES CCc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1
Show InChI InChI=1S/C14H12Cl2N4OS/c1-2-10-6-12(21)20-13(17-10)18-14(19-20)22-7-8-5-9(15)3-4-11(8)16/h3-6H,2,7H2,1H3,(H,17,18,19)
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n/an/a 13n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397819
PNG
(CHEMBL2177858)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-7-4-11(20)19-12(16-7)17-13(18-19)21-6-8-5-9(14)2-3-10(8)15/h2-5H,6H2,1H3,(H,16,17,18)
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n/an/a 51n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397821
PNG
(CHEMBL2177856)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3ccc(Cl)c(Cl)c3)nc2n1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-7-4-11(20)19-12(16-7)17-13(18-19)21-6-8-2-3-9(14)10(15)5-8/h2-5H,6H2,1H3,(H,16,17,18)
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397823
PNG
(CHEMBL2177855)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3ccccc3[N+]([O-])=O)nc2n1
Show InChI InChI=1S/C13H11N5O3S/c1-8-6-11(19)17-12(14-8)15-13(16-17)22-7-9-4-2-3-5-10(9)18(20)21/h2-6H,7H2,1H3,(H,14,15,16)
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n/an/a 9.50E+3n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397828
PNG
(CHEMBL1599552)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3ccccc3Cl)nc2n1
Show InChI InChI=1S/C13H11ClN4OS/c1-8-6-11(19)18-12(15-8)16-13(17-18)20-7-9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H,15,16,17)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397817
PNG
(CHEMBL2177860)
Show SMILES CCc1cc(=O)n2[nH]c(SCc3ccc(Cl)cc3)nc2n1
Show InChI InChI=1S/C14H13ClN4OS/c1-2-11-7-12(20)19-13(16-11)17-14(18-19)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,18)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397820
PNG
(CHEMBL2177857)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3c(Cl)cccc3Cl)nc2n1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-7-5-11(20)19-12(16-7)17-13(18-19)21-6-8-9(14)3-2-4-10(8)15/h2-5H,6H2,1H3,(H,16,17,18)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397827
PNG
(CHEMBL2178513)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3cccc(Cl)c3)nc2n1
Show InChI InChI=1S/C13H11ClN4OS/c1-8-5-11(19)18-12(15-8)16-13(17-18)20-7-9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H,15,16,17)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397818
PNG
(CHEMBL2177859)
Show SMILES Cc1cc(C)cc(CSc2nc3nc(C)cc(=O)n3[nH]2)c1
Show InChI InChI=1S/C15H16N4OS/c1-9-4-10(2)6-12(5-9)8-21-15-17-14-16-11(3)7-13(20)19(14)18-15/h4-7H,8H2,1-3H3,(H,16,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397825
PNG
(CHEMBL2177853)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3ccc(Br)cc3)nc2n1
Show InChI InChI=1S/C13H11BrN4OS/c1-8-6-11(19)18-12(15-8)16-13(17-18)20-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,17)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397829
PNG
(CHEMBL1704856)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3ccc(Cl)cc3)nc2n1
Show InChI InChI=1S/C13H11ClN4OS/c1-8-6-11(19)18-12(15-8)16-13(17-18)20-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,17)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397826
PNG
(CHEMBL2178514)
Show SMILES Cc1ccc(CSc2nc3nc(C)cc(=O)n3[nH]2)cc1
Show InChI InChI=1S/C14H14N4OS/c1-9-3-5-11(6-4-9)8-20-14-16-13-15-10(2)7-12(19)18(13)17-14/h3-7H,8H2,1-2H3,(H,15,16,17)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397824
PNG
(CHEMBL2177854)
Show SMILES COc1ccc(CSc2nc3nc(C)cc(=O)n3[nH]2)cc1
Show InChI InChI=1S/C14H14N4O2S/c1-9-7-12(19)18-13(15-9)16-14(17-18)21-8-10-3-5-11(20-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,17)
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397822
PNG
(CHEMBL135703)
Show SMILES Cc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1
Show InChI InChI=1S/C13H12N4OS/c1-9-7-11(18)17-12(14-9)15-13(16-17)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)
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n/an/a 8.90E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397815
PNG
(CHEMBL2177862)
Show SMILES Cc1cc(N)n2nc(SCc3ccccc3)nc2n1
Show InChI InChI=1S/C13H13N5S/c1-9-7-11(14)18-12(15-9)16-13(17-18)19-8-10-5-3-2-4-6-10/h2-7H,8,14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397814
PNG
(CHEMBL2178511)
Show SMILES Cc1cc(N)n2nc(SCc3ccc(Cl)c(Cl)c3)nc2n1
Show InChI InChI=1S/C13H11Cl2N5S/c1-7-4-11(16)20-12(17-7)18-13(19-20)21-6-8-2-3-9(14)10(15)5-8/h2-5H,6,16H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50397813
PNG
(CHEMBL2178512)
Show SMILES Cc1cc(NCc2ccccc2)n2nc(SCc3ccccc3)nc2n1
Show InChI InChI=1S/C20H19N5S/c1-15-12-18(21-13-16-8-4-2-5-9-16)25-19(22-15)23-20(24-25)26-14-17-10-6-3-7-11-17/h2-12,21H,13-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydroorate as substrate by DCIP-based colorimetric ana...


J Med Chem 55: 5841-50 (2012)


Article DOI: 10.1021/jm300157n
BindingDB Entry DOI: 10.7270/Q2HT2QG8
More data for this
Ligand-Target Pair