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Compile Data Set for Download or QSAR

Found 78 hits of ic50 data for polymerid = 50007251   
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)

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=1/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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215968
PNG
(CHEMBL57324)
Show SMILES Cc1cc(NC(=O)c2cc(I)cc(I)c2O)c(Cl)cc1C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1/C22H14Cl2I2N2O2/c1-11-6-20(28-22(30)16-7-14(25)8-19(26)21(16)29)18(24)9-15(11)17(10-27)12-2-4-13(23)5-3-12/h2-9,17,29H,1H3,(H,28,30)
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n/an/a 3.80E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)


Bioorg Med Chem Lett 8: 1923-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00326-6
BindingDB Entry DOI: 10.7270/Q27S7QZM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215967
PNG
(CHEMBL56579)
Show SMILES Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2O)c(Cl)cc1C(C#N)c1ccc(Cl)cc1
Show InChI InChI=1/C22H14Cl4N2O2/c1-11-6-20(28-22(30)16-7-14(24)8-19(26)21(16)29)18(25)9-15(11)17(10-27)12-2-4-13(23)5-3-12/h2-9,17,29H,1H3,(H,28,30)
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n/an/a 4.80E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)


Bioorg Med Chem Lett 8: 1923-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00326-6
BindingDB Entry DOI: 10.7270/Q27S7QZM
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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218645
PNG
(CHEMBL288462)
Show SMILES CC(C)(C)c1cccc(-c2nc3cc(ccc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H20N4O/c1-18(2,3)12-6-4-5-11(15(12)23)17-21-13-8-7-10(16(19)20)9-14(13)22-17/h4-9,23H,1-3H3,(H3,19,20)(H,21,22)
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n/an/a 6.00E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218644
PNG
(CHEMBL416972)
Show SMILES NC(=N)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O/c22-21(23)16-7-6-15-12-19(24-20(15)13-16)14-8-10-18(11-9-14)25-17-4-2-1-3-5-17/h1-13,24H,(H3,22,23)
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n/an/a 7.70E+3n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
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)

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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218640
PNG
(CHEMBL38683)
Show SMILES CC(C)(C)c1cc(-c2nc3cc(ccc3[nH]2)C2=NCCN2)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H30N4O/c1-23(2,3)15-12-16(20(29)17(13-15)24(4,5)6)22-27-18-8-7-14(11-19(18)28-22)21-25-9-10-26-21/h7-8,11-13,29H,9-10H2,1-6H3,(H,25,26)(H,27,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218648
PNG
(CHEMBL290098)
Show SMILES CC(C)(N)CNC(=O)c1ccc2[nH]c(nc2c1)-c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C26H36N4O2/c1-24(2,3)16-12-17(21(31)18(13-16)25(4,5)6)22-29-19-10-9-15(11-20(19)30-22)23(32)28-14-26(7,8)27/h9-13,31H,14,27H2,1-8H3,(H,28,32)(H,29,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218643
PNG
(CHEMBL39634)
Show SMILES CC(C)(C)c1cc(-c2nc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-21(2,3)13-10-14(18(27)15(11-13)22(4,5)6)20-25-16-8-7-12(19(23)24)9-17(16)26-20/h7-11,27H,1-6H3,(H3,23,24)(H,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218655
PNG
(CHEMBL38914)
Show SMILES CC(C)(C)c1cc(-c2nc3cc(ccc3o2)C(N)=N)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H27N3O2/c1-21(2,3)13-10-14(18(26)15(11-13)22(4,5)6)20-25-16-9-12(19(23)24)7-8-17(16)27-20/h7-11,26H,1-6H3,(H3,23,24)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218647
PNG
(CHEMBL38867)
Show SMILES CC(C)(C)c1cc(-c2nc3ccc(cc3o2)C(N)=N)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H27N3O2/c1-21(2,3)13-10-14(18(26)15(11-13)22(4,5)6)20-25-16-8-7-12(19(23)24)9-17(16)27-20/h7-11,26H,1-6H3,(H3,23,24)
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n/an/a 1.54E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218659
PNG
(CHEMBL43691)
Show SMILES NC(=N)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H21N5/c27-25(28)19-13-16-23-24(17-19)30-26(29-23)18-11-14-22(15-12-18)31(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17H,(H3,27,28)(H,29,30)
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n/an/a 1.70E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

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)

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 2.20E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)


Bioorg Med Chem Lett 8: 1923-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00326-6
BindingDB Entry DOI: 10.7270/Q27S7QZM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218653
PNG
(CHEMBL39178)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1nc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C22H28N4/c1-21(2,3)15-9-14(10-16(12-15)22(4,5)6)20-25-17-8-7-13(19(23)24)11-18(17)26-20/h7-12H,1-6H3,(H3,23,24)(H,25,26)
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n/an/a 2.50E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50100895
PNG
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Show SMILES NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
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n/an/a 3.10E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component system (TCS) from Bacillus subtilis


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218651
PNG
(CHEMBL39490)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H16N4O/c21-19(22)14-8-11-17-18(12-14)24-20(23-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H3,21,22)(H,23,24)
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n/an/a 4.20E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F two component system (TCS) from Bacillus subtilis


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218656
PNG
(CHEMBL39040)
Show SMILES Cn1c(nc2cc(ccc12)C(N)=N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H18N4O/c1-25-19-12-9-15(20(22)23)13-18(19)24-21(25)14-7-10-17(11-8-14)26-16-5-3-2-4-6-16/h2-13H,1H3,(H3,22,23)
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n/an/a 4.40E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)


Bioorg Med Chem Lett 8: 1923-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00326-6
BindingDB Entry DOI: 10.7270/Q27S7QZM
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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218646
PNG
(CHEMBL290549)
Show SMILES NC(=N)c1ccc2nc(oc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15N3O2/c21-19(22)14-8-11-17-18(12-14)25-20(23-17)13-6-9-16(10-7-13)24-15-4-2-1-3-5-15/h1-12H,(H3,21,22)
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n/an/a 4.90E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218654
PNG
(CHEMBL40096)
Show SMILES CC(C)(C)c1ccc(O)c(c1)-c1nc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C18H20N4O/c1-18(2,3)11-5-7-15(23)12(9-11)17-21-13-6-4-10(16(19)20)8-14(13)22-17/h4-9,23H,1-3H3,(H3,19,20)(H,21,22)
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n/an/a 6.40E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218649
PNG
(CHEMBL417892)
Show SMILES COc1c(cc(cc1C(C)(C)C)C(C)(C)C)-c1nc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C23H30N4O/c1-22(2,3)14-11-15(19(28-7)16(12-14)23(4,5)6)21-26-17-9-8-13(20(24)25)10-18(17)27-21/h8-12H,1-7H3,(H3,24,25)(H,26,27)
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n/an/a 7.60E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218642
PNG
(CHEMBL39543)
Show SMILES CC(C)(C)c1cc(-c2nc3cc(ccc3[nH]2)C(O)=O)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C22H26N2O3/c1-21(2,3)13-10-14(18(25)15(11-13)22(4,5)6)19-23-16-8-7-12(20(26)27)9-17(16)24-19/h7-11,25H,1-6H3,(H,23,24)(H,26,27)
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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 KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218650
PNG
(CHEMBL2114423)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H16N4/c21-19(22)16-10-11-17-18(12-16)24-20(23-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22)(H,23,24)
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n/an/a 8.80E+4n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215970
PNG
(CHEMBL56781)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H7Cl4NO2/c14-8-2-1-7(5-9(8)15)18-13(20)6-3-10(16)12(19)11(17)4-6/h1-5,19H,(H,18,20)
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n/an/a 9.80E+4n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)


Bioorg Med Chem Lett 8: 1923-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00326-6
BindingDB Entry DOI: 10.7270/Q27S7QZM
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)


Article DOI: 10.1016/s0960-894x(98)00325-4
BindingDB Entry DOI: 10.7270/Q2417070
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218658
PNG
(CHEMBL290462)
Show SMILES NC(=N)c1ccc2oc(nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15N3O2/c21-19(22)14-8-11-18-17(12-14)23-20(25-18)13-6-9-16(10-7-13)24-15-4-2-1-3-5-15/h1-12H,(H3,21,22)
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n/an/a 1.38E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218652
PNG
(CHEMBL39218)
Show SMILES CC(C)(C)c1cccc(c1)-c1nc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C18H20N4/c1-18(2,3)13-6-4-5-12(9-13)17-21-14-8-7-11(16(19)20)10-15(14)22-17/h4-10H,1-3H3,(H3,19,20)(H,21,22)
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n/an/a 1.63E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50218657
PNG
(CHEMBL289173)
Show SMILES CC(C)c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C17H18N4/c1-10(2)11-3-5-12(6-4-11)17-20-14-8-7-13(16(18)19)9-15(14)21-17/h3-10H,1-2H3,(H3,18,19)(H,20,21)
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n/an/a 2.20E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
BindingDB Entry DOI: 10.7270/Q2V69MSM
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)

More data for this
Ligand-Target Pair
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50215972
PNG
(CHEMBL57827)
Show SMILES Oc1c(Cl)cc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H8Cl4N2O2/c14-6-3-10(17)12(20)11(4-6)19-13(21)18-7-1-2-8(15)9(16)5-7/h1-5,20H,(H2,18,19,21)
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n/an/a 3.65E+5n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)


Bioorg Med Chem Lett 8: 1923-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00326-6
BindingDB Entry DOI: 10.7270/Q27S7QZM
More data for this
Ligand-Target Pair
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