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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 500   
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 beta type


(Rattus norvegicus (rat))
BDBM3175
PNG
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
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n/an/a 10n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3179
PNG
(3-(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-...)
Show SMILES [#6]-n1cc(-[#6]-2=[#6](-[#6](=O)-[#7]-[#6]-2=O)-c2cn(-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H24N6O2/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(33)29-23(21)32)18-14-31(12-6-11-28-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H4,26,27,28)(H,29,32,33)
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n/an/a 19n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3178
PNG
(3-(1-Methyl-3-indolyl)-4-[1-[3-(2-nitroguanidino)p...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN=C(N)N[N+]([O-])=O)c3ccccc23)c2ccccc12 |w:17.17,t:4|
Show InChI InChI=1S/C25H23N7O4/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(34)28-23(21)33)18-14-31(20-10-5-3-8-16(18)20)12-6-11-27-25(26)29-32(35)36/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27,29)(H,28,33,34)
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n/an/a 26n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3176
PNG
(Bisindolylmaleimide 11c | [(4-{3-[4-(1-methyl-1H-i...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H25N5O2S/c1-30-14-18(16-8-2-4-10-20(16)30)22-23(25(33)29-24(22)32)19-15-31(12-6-7-13-34-26(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)
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n/an/a 28n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3180
PNG
(3-[1-(4-Amidinobutyl)-3-indolyl]-4-(1-methyl-3-ind...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)
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n/an/a 31n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3171
PNG
(3-(1-methyl-1H-indol-3-yl)-4-{1-[3-(methylamino)pr...)
Show SMILES CNCCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24N4O2/c1-26-12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-28(2)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 35n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3174
PNG
(Bisindolylmaleimide 11a | ROCHE screening, 56 | [(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N5O2S/c1-28-12-16(14-6-2-4-8-18(14)28)20-21(23(31)27-22(20)30)17-13-29(10-11-32-24(25)26)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11H2,1H3,(H3,25,26)(H,27,30,31)
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n/an/a 41n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM2681
PNG
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)
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n/an/a 45n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3177
PNG
(Bisindolylmaleimide 11d | ROCHE screening, 58 | [(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H27N5O2S/c1-31-15-19(17-9-3-5-11-21(17)31)23-24(26(34)30-25(23)33)20-16-32(22-12-6-4-10-18(20)22)13-7-2-8-14-35-27(28)29/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H3,28,29)(H,30,33,34)
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n/an/a 47n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3169
PNG
(3-[1-(4-aminobutyl)-1H-indol-3-yl]-4-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H24N4O2/c1-28-14-18(16-8-2-4-10-20(16)28)22-23(25(31)27-24(22)30)19-15-29(13-7-6-12-26)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13,26H2,1H3,(H,27,30,31)
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n/an/a 55n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3167
PNG
(3-[1-(2-aminoethyl)-1H-indol-3-yl]-4-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C23H20N4O2/c1-26-12-16(14-6-2-4-8-18(14)26)20-21(23(29)25-22(20)28)17-13-27(11-10-24)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11,24H2,1H3,(H,25,28,29)
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n/an/a 64n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM2695
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
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n/an/a 75n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3170
PNG
(3-[1-(5-aminopentyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H26N4O2/c1-29-15-19(17-9-3-5-11-21(17)29)23-24(26(32)28-25(23)31)20-16-30(14-8-2-7-13-27)22-12-6-4-10-18(20)22/h3-6,9-12,15-16H,2,7-8,13-14,27H2,1H3,(H,28,31,32)
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n/an/a 76n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3173
PNG
(Bisindolylmaleimide 9 | Trimethyl[3-[3-[3-(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCC[N+](C)(C)C)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H28N4O2/c1-29-16-20(18-10-5-7-12-22(18)29)24-25(27(33)28-26(24)32)21-17-30(14-9-15-31(2,3)4)23-13-8-6-11-19(21)23/h5-8,10-13,16-17H,9,14-15H2,1-4H3/p+1
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n/an/a 93n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3164
PNG
(3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-in...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)
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n/an/a 130n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3165
PNG
(3-[1-(4-hydroxybutyl)-1H-indol-3-yl]-4-(1-methyl-1...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31)
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n/an/a 170n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3166
PNG
(3-[1-(5-hydroxypentyl)-1H-indol-3-yl]-4-(1-methyl-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)
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n/an/a 280n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))
BDBM3163
PNG
(3-[1-(2-hydroxyethyl)-1H-indol-3-yl]-4-(1-methyl-1...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C23H19N3O3/c1-25-12-16(14-6-2-4-8-18(14)25)20-21(23(29)24-22(20)28)17-13-26(10-11-27)19-9-5-3-7-15(17)19/h2-9,12-13,27H,10-11H2,1H3,(H,24,28,29)
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n/an/a 340n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3175
PNG
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
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n/an/a 900n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3176
PNG
(Bisindolylmaleimide 11c | [(4-{3-[4-(1-methyl-1H-i...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H25N5O2S/c1-30-14-18(16-8-2-4-10-20(16)30)22-23(25(33)29-24(22)32)19-15-31(12-6-7-13-34-26(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3179
PNG
(3-(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-...)
Show SMILES [#6]-n1cc(-[#6]-2=[#6](-[#6](=O)-[#7]-[#6]-2=O)-c2cn(-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H24N6O2/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(33)29-23(21)32)18-14-31(12-6-11-28-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H4,26,27,28)(H,29,32,33)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3177
PNG
(Bisindolylmaleimide 11d | ROCHE screening, 58 | [(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H27N5O2S/c1-31-15-19(17-9-3-5-11-21(17)31)23-24(26(34)30-25(23)33)20-16-32(22-12-6-4-10-18(20)22)13-7-2-8-14-35-27(28)29/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H3,28,29)(H,30,33,34)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3178
PNG
(3-(1-Methyl-3-indolyl)-4-[1-[3-(2-nitroguanidino)p...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN=C(N)N[N+]([O-])=O)c3ccccc23)c2ccccc12 |w:17.17,t:4|
Show InChI InChI=1S/C25H23N7O4/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(34)28-23(21)33)18-14-31(20-10-5-3-8-16(18)20)12-6-11-27-25(26)29-32(35)36/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27,29)(H,28,33,34)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM2695
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
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n/an/a 5.20E+3n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3180
PNG
(3-[1-(4-Amidinobutyl)-3-indolyl]-4-(1-methyl-3-ind...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3167
PNG
(3-[1-(2-aminoethyl)-1H-indol-3-yl]-4-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C23H20N4O2/c1-26-12-16(14-6-2-4-8-18(14)26)20-21(23(29)25-22(20)28)17-13-27(11-10-24)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11,24H2,1H3,(H,25,28,29)
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n/an/a 8.90E+3n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3169
PNG
(3-[1-(4-aminobutyl)-1H-indol-3-yl]-4-(1-methyl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H24N4O2/c1-28-14-18(16-8-2-4-10-20(16)28)22-23(25(31)27-24(22)30)19-15-29(13-7-6-12-26)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13,26H2,1H3,(H,27,30,31)
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n/an/a 9.30E+3n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3170
PNG
(3-[1-(5-aminopentyl)-1H-indol-3-yl]-4-(1-methyl-1H...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCN)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H26N4O2/c1-29-15-19(17-9-3-5-11-21(17)29)23-24(26(32)28-25(23)31)20-16-30(14-8-2-7-13-27)22-12-6-4-10-18(20)22/h3-6,9-12,15-16H,2,7-8,13-14,27H2,1H3,(H,28,31,32)
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n/an/a 1.04E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3171
PNG
(3-(1-methyl-1H-indol-3-yl)-4-{1-[3-(methylamino)pr...)
Show SMILES CNCCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:8|
Show InChI InChI=1S/C25H24N4O2/c1-26-12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-28(2)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 1.19E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3174
PNG
(Bisindolylmaleimide 11a | ROCHE screening, 56 | [(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N5O2S/c1-28-12-16(14-6-2-4-8-18(14)28)20-21(23(31)27-22(20)30)17-13-29(10-11-32-24(25)26)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11H2,1H3,(H3,25,26)(H,27,30,31)
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n/an/a 1.21E+4n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3164
PNG
(3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-in...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)
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n/an/a 1.42E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3165
PNG
(3-[1-(4-hydroxybutyl)-1H-indol-3-yl]-4-(1-methyl-1...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31)
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n/an/a 1.84E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3166
PNG
(3-[1-(5-hydroxypentyl)-1H-indol-3-yl]-4-(1-methyl-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)
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n/an/a 2.13E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3163
PNG
(3-[1-(2-hydroxyethyl)-1H-indol-3-yl]-4-(1-methyl-1...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C23H19N3O3/c1-25-12-16(14-6-2-4-8-18(14)25)20-21(23(29)24-22(20)28)17-13-26(10-11-27)19-9-5-3-7-15(17)19/h2-9,12-13,27H,10-11H2,1H3,(H,24,28,29)
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n/an/a 2.21E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM2681
PNG
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)
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n/an/a 2.56E+4n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3173
PNG
(Bisindolylmaleimide 9 | Trimethyl[3-[3-[3-(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCC[N+](C)(C)C)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C27H28N4O2/c1-29-16-20(18-10-5-7-12-22(18)29)24-25(27(33)28-26(24)32)21-17-30(14-9-15-31(2,3)4)23-13-8-6-11-19(21)23/h5-8,10-13,16-17H,9,14-15H2,1-4H3/p+1
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n/an/a 6.45E+4n/an/an/an/an/an/a



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair