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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50003491   
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))
BDBM50471725
PNG
(CHEMBL327734)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc(O)c1O
Show InChI InChI=1S/C22H16Cl2N2O3/c1-12-9-16(17(11-25)13-5-7-14(23)8-6-13)18(24)10-19(12)26-22(29)15-3-2-4-20(27)21(15)28/h2-10,17,27-28H,1H3,(H,26,29)
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n/an/a 2.80E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50063753
PNG
(CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
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n/an/a 3.80E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471718
PNG
(CHEMBL98026)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C22H14Cl4N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(25)9-20(11)28-22(30)16-7-14(24)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
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n/an/a 4.80E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471730
PNG
(CHEMBL101786)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(cc(c1O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H14Cl2F6N2O2/c1-11-6-15(17(10-33)12-2-4-14(25)5-3-12)19(26)9-20(11)34-22(36)16-7-13(23(27,28)29)8-18(21(16)35)24(30,31)32/h2-9,17,35H,1H3,(H,34,36)
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n/an/a 9.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471728
PNG
(CHEMBL100719)
Show SMILES Oc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1O
Show InChI InChI=1S/C13H9Cl2NO3/c14-9-5-4-7(6-10(9)15)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)
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n/an/a 9.50E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471723
PNG
(CHEMBL98273)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(ccc1O)C(F)(F)F
Show InChI InChI=1S/C23H15Cl2F3N2O2/c1-12-8-16(18(11-29)13-2-5-15(24)6-3-13)19(25)10-20(12)30-22(32)17-9-14(23(26,27)28)4-7-21(17)31/h2-10,18,31H,1H3,(H,30,32)
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n/an/a 1.90E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50065970
PNG
(CHEMBL57656 | N-(3,4-Dichloro-phenyl)-2-hydroxy-3,...)
Show SMILES Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H7Cl2I2NO2/c14-9-2-1-7(5-10(9)15)18-13(20)8-3-6(16)4-11(17)12(8)19/h1-5,19H,(H,18,20)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471716
PNG
(CHEMBL431272)
Show SMILES Oc1c(cc(cc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H7Cl2F6NO2/c16-10-2-1-7(5-11(10)17)24-13(26)8-3-6(14(18,19)20)4-9(12(8)25)15(21,22)23/h1-5,25H,(H,24,26)
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n/an/a 2.70E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
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 4.50E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471712
PNG
(CHEMBL319252)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H7Cl3F3NO2/c15-6-3-8(12(22)11(17)4-6)13(23)21-7-1-2-10(16)9(5-7)14(18,19)20/h1-5,22H,(H,21,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471719
PNG
(CHEMBL100688)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C17H17Cl2NO2/c1-17(2,3)10-4-6-12(7-5-10)20-16(22)13-8-11(18)9-14(19)15(13)21/h4-9,21H,1-3H3,(H,20,22)
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n/an/a 6.70E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471713
PNG
(CHEMBL99708)
Show SMILES Cc1cc(C(CN)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C22H18Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,10,27H2,1H3,(H,28,30)
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n/an/a 8.60E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50065988
PNG
(3,5-Dichloro-N-(4-chloro-phenyl)-2-hydroxy-benzami...)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C13H8Cl3NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
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n/an/a 1.85E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471724
PNG
(CHEMBL98743)
Show SMILES COc1cc(OC)c(O)c(c1)C(=O)Nc1cc(Cl)c(cc1C)C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O4/c1-13-8-17(19(12-27)14-4-6-15(25)7-5-14)20(26)11-21(13)28-24(30)18-9-16(31-2)10-22(32-3)23(18)29/h4-11,19,29H,1-3H3,(H,28,30)
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n/an/a 2.50E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471720
PNG
(CHEMBL319852)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C30H32Cl2N2O2/c1-17-12-21(23(16-33)18-8-10-20(31)11-9-18)25(32)15-26(17)34-28(36)22-13-19(29(2,3)4)14-24(27(22)35)30(5,6)7/h8-15,23,35H,1-7H3,(H,34,36)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471726
PNG
(CHEMBL100633)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H8Cl3NO2/c14-7-1-4-12(18)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6,18H,(H,17,19)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471717
PNG
(CHEMBL101264)
Show SMILES Cc1cc(C(=O)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
Show InChI InChI=1S/C21H13Cl2I2NO3/c1-10-6-14(19(27)11-2-4-12(22)5-3-11)16(23)9-18(10)26-21(29)15-7-13(24)8-17(25)20(15)28/h2-9,28H,1H3,(H,26,29)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471722
PNG
(CHEMBL330654)
Show SMILES Oc1ccc(cc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C14H8Cl2F3NO2/c15-10-3-2-8(6-11(10)16)20-13(22)9-5-7(14(17,18)19)1-4-12(9)21/h1-6,21H,(H,20,22)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471715
PNG
(CHEMBL431816)
Show SMILES Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C22H15Cl3N2O2/c1-12-8-16(18(11-26)13-2-4-14(23)5-3-13)19(25)10-20(12)27-22(29)17-9-15(24)6-7-21(17)28/h2-10,18,28H,1H3,(H,27,29)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471729
PNG
(CHEMBL419162)
Show SMILES CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C21H25Cl2NO2/c1-20(2,3)12-9-14(18(25)15(10-12)21(4,5)6)19(26)24-13-7-8-16(22)17(23)11-13/h7-11,25H,1-6H3,(H,24,26)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471714
PNG
(CHEMBL330397)
Show SMILES COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C14H11Cl2NO3/c1-20-10-4-2-9(3-5-10)17-14(19)11-6-8(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
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The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215971
PNG
(CHEMBL299692)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H9Cl2NO2/c14-8-6-10(12(17)11(15)7-8)13(18)16-9-4-2-1-3-5-9/h1-7,17H,(H,16,18)
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471721
PNG
(CHEMBL319962)
Show SMILES COc1cc(OC)c(O)c(c1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO4/c1-21-9-6-10(14(19)13(7-9)22-2)15(20)18-8-3-4-11(16)12(17)5-8/h3-7,19H,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50471727
PNG
(CHEMBL318371)
Show SMILES Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-5-10(12(18)11(15)6-7)13(19)16-8-1-3-9(4-2-8)17(20)21/h1-6,18H,(H,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil...


J Med Chem 41: 2939-45 (1998)


Article DOI: 10.1021/jm9803572
BindingDB Entry DOI: 10.7270/Q2VM4G0W
More data for this
Ligand-Target Pair