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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'wallace' and Initial = 'mj'   
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
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCepsilon


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 6n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCepsilon


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCgamma


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 30n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCgamma


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 32n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 364n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCiota


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190582
PNG
(CHEMBL3827911)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)nc(OC)n1
Show InChI InChI=1S/C19H19N9O5S/c1-32-14-7-13(24-19(25-14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-8-11-9-22-16-15(23-11)17(29)27-18(20)26-16/h3-7,9,21H,8H2,1-2H3,(H,24,25,28)(H3,20,22,26,27,29)
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n/an/a 1.90E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190581
PNG
(CHEMBL3828161)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ccccn3)nc2c(=O)[nH]1
Show InChI InChI=1S/C18H16N8O3S/c19-18-24-16-15(17(27)25-18)23-12(10-22-16)9-21-11-4-6-13(7-5-11)30(28,29)26-14-3-1-2-8-20-14/h1-8,10,21H,9H2,(H,20,26)(H3,19,22,24,25,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190578
PNG
(CHEMBL3827297)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)no1
Show InChI InChI=1S/C17H16N8O4S/c1-9-6-13(24-29-9)25-30(27,28)12-4-2-10(3-5-12)19-7-11-8-20-15-14(21-11)16(26)23-17(18)22-15/h2-6,8,19H,7H2,1H3,(H,24,25)(H3,18,20,22,23,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 3.46E+3n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCiota


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190579
PNG
(CHEMBL3828532)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1C
Show InChI InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27)
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n/an/a 8.10E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190580
PNG
(CHEMBL3828019)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ncccn3)nc2c(=O)[nH]1
Show InChI InChI=1S/C17H15N9O3S/c18-16-24-14-13(15(27)25-16)23-11(9-22-14)8-21-10-2-4-12(5-3-10)30(28,29)26-17-19-6-1-7-20-17/h1-7,9,21H,8H2,(H,19,20,26)(H3,18,22,24,25,27)
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n/an/a 9.40E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190584
PNG
(CHEMBL3828105)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
Show InChI InChI=1S/C19H17N7O3S/c20-11-1-5-14(6-2-11)30(28,29)15-7-3-12(4-8-15)22-9-13-10-23-17-16(24-13)18(27)26-19(21)25-17/h1-8,10,22H,9,20H2,(H3,21,23,25,26,27)
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n/an/a 1.13E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190583
PNG
(CHEMBL3827459)
Show SMILES COc1ncnc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1OC
Show InChI InChI=1S/C19H19N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,8-9,21H,7H2,1-2H3,(H,23,24,28)(H3,20,22,26,27,29)
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n/an/a 1.15E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190583
PNG
(CHEMBL3827459)
Show SMILES COc1ncnc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1OC
Show InChI InChI=1S/C19H19N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,8-9,21H,7H2,1-2H3,(H,23,24,28)(H3,20,22,26,27,29)
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n/an/a 1.52E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190585
PNG
(CHEMBL3828540)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
Show InChI InChI=1S/C15H15N7O4S/c1-8(23)22-27(25,26)11-4-2-9(3-5-11)17-6-10-7-18-13-12(19-10)14(24)21-15(16)20-13/h2-5,7,17H,6H2,1H3,(H,22,23)(H3,16,18,20,21,24)
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n/an/a 1.71E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophospha...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190584
PNG
(CHEMBL3828105)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
Show InChI InChI=1S/C19H17N7O3S/c20-11-1-5-14(6-2-11)30(28,29)15-7-3-12(4-8-15)22-9-13-10-23-17-16(24-13)18(27)26-19(21)25-17/h1-8,10,22H,9,20H2,(H3,21,23,25,26,27)
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n/an/a 1.78E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190585
PNG
(CHEMBL3828540)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1
Show InChI InChI=1S/C15H15N7O4S/c1-8(23)22-27(25,26)11-4-2-9(3-5-11)17-6-10-7-18-13-12(19-10)14(24)21-15(16)20-13/h2-5,7,17H,6H2,1H3,(H,22,23)(H3,16,18,20,21,24)
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n/an/a 1.86E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190580
PNG
(CHEMBL3828019)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ncccn3)nc2c(=O)[nH]1
Show InChI InChI=1S/C17H15N9O3S/c18-16-24-14-13(15(27)25-16)23-11(9-22-14)8-21-10-2-4-12(5-3-10)30(28,29)26-17-19-6-1-7-20-17/h1-7,9,21H,8H2,(H,19,20,26)(H3,18,22,24,25,27)
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n/an/a 1.93E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190578
PNG
(CHEMBL3827297)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)no1
Show InChI InChI=1S/C17H16N8O4S/c1-9-6-13(24-29-9)25-30(27,28)12-4-2-10(3-5-12)19-7-11-8-20-15-14(21-11)16(26)23-17(18)22-15/h2-6,8,19H,7H2,1H3,(H,24,25)(H3,18,20,22,23,26)
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n/an/a 2.06E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190579
PNG
(CHEMBL3828532)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)c1C
Show InChI InChI=1S/C18H18N8O4S/c1-9-10(2)25-30-17(9)26-31(28,29)13-5-3-11(4-6-13)20-7-12-8-21-15-14(22-12)16(27)24-18(19)23-15/h3-6,8,20,26H,7H2,1-2H3,(H3,19,21,23,24,27)
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n/an/a 2.25E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190582
PNG
(CHEMBL3827911)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)nc(OC)n1
Show InChI InChI=1S/C19H19N9O5S/c1-32-14-7-13(24-19(25-14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-8-11-9-22-16-15(23-11)17(29)27-18(20)26-16/h3-7,9,21H,8H2,1-2H3,(H,24,25,28)(H3,20,22,26,27,29)
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n/an/a 2.68E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50190581
PNG
(CHEMBL3828161)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)S(=O)(=O)Nc3ccccn3)nc2c(=O)[nH]1
Show InChI InChI=1S/C18H16N8O3S/c19-18-24-16-15(17(27)25-18)23-12(10-22-16)9-21-11-4-6-13(7-5-11)30(28,29)26-14-3-1-2-8-20-14/h1-8,10,21H,9H2,(H,20,26)(H3,19,22,24,25,27)
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n/an/a>6.25E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assa...


Bioorg Med Chem Lett 26: 3950-4 (2016)


BindingDB Entry DOI: 10.7270/Q2P2712G
More data for this
Ligand-Target Pair
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCiota


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCgamma


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of human PKCepsilon


J Biol Chem 282: 33052-63 (2007)


Article DOI: 10.1074/jbc.M707233200
BindingDB Entry DOI: 10.7270/Q2TB16NW
More data for this
Ligand-Target Pair