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PubMed code 9873461

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215985
PNG
(CHEMBL57037)
Show SMILES Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H7Cl2N5O5/c15-9-2-1-6(3-10(9)16)13-17-14(19-18-13)8-4-7(20(23)24)5-11(12(8)22)21(25)26/h1-5,22H,(H,17,18,19)
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n/an/a 8.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215976
PNG
(CHEMBL58536)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(n1)-c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H7Cl3F3N3O/c16-7-4-8(12(25)11(18)5-7)14-22-13(23-24-14)6-1-2-10(17)9(3-6)15(19,20)21/h1-5,25H,(H,22,23,24)
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n/an/a 1.60E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215978
PNG
(CHEMBL58439)
Show SMILES Oc1c(Br)cc(Br)cc1-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H7Br2Cl2N3O/c15-7-4-8(12(22)9(16)5-7)14-19-13(20-21-14)6-1-2-10(17)11(18)3-6/h1-5,22H,(H,19,20,21)
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n/an/a 2.40E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215974
PNG
(3,3'',4'',5-tetrachlorosalicylanilide | 3,3',4',5-...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
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n/an/a 3.70E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215977
PNG
(CHEMBL58560)
Show SMILES Oc1c(cc(cc1C(F)(F)F)C(F)(F)F)-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H7Cl2F6N3O/c17-10-2-1-6(3-11(10)18)13-25-14(27-26-13)8-4-7(15(19,20)21)5-9(12(8)28)16(22,23)24/h1-5,28H,(H,25,26,27)
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n/an/a 4.40E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50216089
PNG
(CHEMBL441791)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H7Cl4N3O/c15-7-4-8(12(22)11(18)5-7)14-19-13(20-21-14)6-1-2-9(16)10(17)3-6/h1-5,22H,(H,19,20,21)
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n/an/a 6.70E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215981
PNG
(CHEMBL60977)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H8Cl3N3O/c15-8-3-1-7(2-4-8)13-18-14(20-19-13)10-5-9(16)6-11(17)12(10)21/h1-6,21H,(H,18,19,20)
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n/an/a 8.00E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50216090
PNG
(CHEMBL60976)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H8Cl3N3O/c15-8-3-1-2-7(4-8)13-18-14(20-19-13)10-5-9(16)6-11(17)12(10)21/h1-6,21H,(H,18,19,20)
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n/an/a 8.70E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215983
PNG
(CHEMBL301880)
Show SMILES NS(=O)(=O)c1ccc(O)c(c1)-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl2N4O3S/c15-10-3-1-7(5-11(10)16)13-18-14(20-19-13)9-6-8(24(17,22)23)2-4-12(9)21/h1-6,21H,(H2,17,22,23)(H,18,19,20)
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n/an/a 9.10E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215987
PNG
(CHEMBL300324)
Show SMILES Oc1c(Br)cc(Br)cc1-c1n[nH]c(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H13Br2N3O2/c21-13-10-16(18(26)17(22)11-13)20-23-19(24-25-20)12-6-8-15(9-7-12)27-14-4-2-1-3-5-14/h1-11,26H,(H,23,24,25)
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n/an/a 1.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215988
PNG
(CHEMBL58319)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C14H9Cl2N3O/c15-9-6-10(12(20)11(16)7-9)14-17-13(18-19-14)8-4-2-1-3-5-8/h1-7,20H,(H,17,18,19)
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n/an/a 3.80E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50216087
PNG
(CHEMBL301277)
Show SMILES Oc1c(Cl)cccc1-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H8Cl3N3O/c15-9-5-4-7(6-11(9)17)13-18-14(20-19-13)8-2-1-3-10(16)12(8)21/h1-6,21H,(H,18,19,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215979
PNG
(CHEMBL58329)
Show SMILES CC(C)(C)c1cc(-c2n[nH]c(n2)-c2ccc(Cl)c(Cl)c2)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H25Cl2N3O/c1-21(2,3)13-10-14(18(28)15(11-13)22(4,5)6)20-25-19(26-27-20)12-7-8-16(23)17(24)9-12/h7-11,28H,1-6H3,(H,25,26,27)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215982
PNG
(CHEMBL58045)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1n[nH]c(n1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H8Cl2N4O3/c15-8-5-10(12(21)11(16)6-8)14-17-13(18-19-14)7-1-3-9(4-2-7)20(22)23/h1-6,21H,(H,17,18,19)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215986
PNG
(CHEMBL292823)
Show SMILES Oc1ccc(Cl)cc1-c1n[nH]c(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H8Cl3N3O/c15-8-2-4-12(21)9(6-8)14-18-13(19-20-14)7-1-3-10(16)11(17)5-7/h1-6,21H,(H,18,19,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215984
PNG
(CHEMBL291781)
Show SMILES COc1ccc(cc1)-c1n[nH]c(n1)-c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C15H11Cl2N3O2/c1-22-10-4-2-8(3-5-10)14-18-15(20-19-14)11-6-9(16)7-12(17)13(11)21/h2-7,21H,1H3,(H,18,19,20)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50216088
PNG
(CHEMBL58201)
Show SMILES CC(C)c1ccc(cc1)-c1n[nH]c(n1)-c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C17H15Cl2N3O/c1-9(2)10-3-5-11(6-4-10)16-20-17(22-21-16)13-7-12(18)8-14(19)15(13)23/h3-9,23H,1-2H3,(H,20,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215980
PNG
(CHEMBL61254)
Show SMILES Cc1ccc(cc1C)-c1n[nH]c(n1)-c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C16H13Cl2N3O/c1-8-3-4-10(5-9(8)2)15-19-16(21-20-15)12-6-11(17)7-13(18)14(12)22/h3-7,22H,1-2H3,(H,19,20,21)
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n/an/a>5.00E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit autophosphorylation of KinA/Sp0F assay


Bioorg Med Chem Lett 8: 1929-34 (1998)


BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%