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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'hartenstein' and Initial = 'j'   
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))		BDBM3045
PNG
(3-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-9-8-13(32-2)12-15(16)19-21-20(24(30)27-25(21)31)18-14-6-3-4-7-17(14)29(11-5-10-26)23(18)22(19)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 2n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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n/an/a 4n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3047
PNG
(4-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O3/c1-29-17-10-9-14(33-2)13-16(17)20-22-21(25(31)28-26(22)32)19-15-7-3-4-8-18(15)30(12-6-5-11-27)24(19)23(20)29/h3-4,7-10,13H,5-6,12H2,1-2H3,(H,28,31,32)
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Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3046
PNG
(3-{7,19-dimethoxy-23-methyl-12,14-dioxo-3,13,23-tr...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O4/c1-29-17-7-5-13(33-2)11-15(17)19-21-22(26(32)28-25(21)31)20-16-12-14(34-3)6-8-18(16)30(10-4-9-27)24(20)23(19)29/h5-8,11-12H,4,10H2,1-3H3,(H,28,31,32)
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Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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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Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3035
PNG
(3-{7,19-dihydroxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NCc3c3c4cc(O)ccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O3/c1-27-17-5-3-12(29)9-14(17)20-21-16(11-26-24(21)31)19-15-10-13(30)4-6-18(15)28(8-2-7-25)23(19)22(20)27/h3-6,9-10,29-30H,2,8,11H2,1H3,(H,26,31)
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Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 10n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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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Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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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TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against myosin light-chain kinase from chicken gizzard (M-kinase)

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3038
PNG
(23-[3-(dimethylamino)propyl]-7,19-dihydroxy-3,13,2...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3CNC(=O)c3c3c4cc(O)ccc4[nH]c3c12
Show InChI InChI=1S/C25H24N4O3/c1-28(2)8-3-9-29-19-7-5-14(31)11-16(19)20-17-12-26-25(32)22(17)21-15-10-13(30)4-6-18(15)27-23(21)24(20)29/h4-7,10-11,27,30-31H,3,8-9,12H2,1-2H3,(H,26,32)
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n/an/a 16n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3044
PNG
(3-{7-methoxy-23-methyl-12,14-dioxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(CCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-7-4-3-6-14(16)18-20-21(25(31)27-24(20)30)19-15-12-13(32-2)8-9-17(15)29(11-5-10-26)23(19)22(18)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase 1


(Bos taurus (bovine))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against cGMP-dependent protein kinase from bovine lung (G-kinase)

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM3040
PNG
(23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12
Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)
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Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3040
PNG
(23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12
Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)
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n/an/a 18n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase 1


(Bos taurus (bovine))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3048
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-3-methyl-3,...)
Show SMILES CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H24N4O3/c1-28(2)12-14(31)13-30-18-11-7-5-9-16(18)20-22-21(25(32)27-26(22)33)19-15-8-4-6-10-17(15)29(3)23(19)24(20)30/h4-11,14,31H,12-13H2,1-3H3,(H,27,32,33)
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n/an/a 21n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280871
PNG
(12-(3-azidopropyl)-13-methyl-6,7,12,13-tetrahydro-...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN=[N+]=[N-])c3c12
Show InChI InChI=1S/C24H20N6O/c1-29-17-9-4-2-7-14(17)20-21-16(13-26-24(21)31)19-15-8-3-5-10-18(15)30(23(19)22(20)29)12-6-11-27-28-25/h2-5,7-10H,6,11-13H2,1H3,(H,26,31)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280873
PNG
(2-(13-ethyl-5-oxo-6,7,12,13-tetrahydro-5H-indolo[2...)
Show SMILES CCn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C25H20N4O/c1-2-28-18-10-5-4-9-16(18)21-22-17(14-27-25(22)30)20-15-8-3-6-11-19(15)29(13-7-12-26)23(20)24(21)28/h3-6,8-11H,2,7,13-14H2,1H3,(H,27,30)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3041
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-3-methyl-3,...)
Show SMILES CN(C)CC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-15(31)14-30-20-11-7-5-9-17(20)21-18-12-27-26(32)23(18)22-16-8-4-6-10-19(16)29(3)24(22)25(21)30/h4-11,15,31H,12-14H2,1-3H3,(H,27,32)
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n/an/a 30n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3035
PNG
(3-{7,19-dihydroxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NCc3c3c4cc(O)ccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O3/c1-27-17-5-3-12(29)9-14(17)20-21-16(11-26-24(21)31)19-15-10-13(30)4-6-18(15)28(8-2-7-25)23(19)22(20)27/h3-6,9-10,29-30H,2,8,11H2,1H3,(H,26,31)
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n/an/a 30n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM3035
PNG
(3-{7,19-dihydroxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NCc3c3c4cc(O)ccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O3/c1-27-17-5-3-12(29)9-14(17)20-21-16(11-26-24(21)31)19-15-10-13(30)4-6-18(15)28(8-2-7-25)23(19)22(20)27/h3-6,9-10,29-30H,2,8,11H2,1H3,(H,26,31)
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n/an/a 30n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3038
PNG
(23-[3-(dimethylamino)propyl]-7,19-dihydroxy-3,13,2...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3CNC(=O)c3c3c4cc(O)ccc4[nH]c3c12
Show InChI InChI=1S/C25H24N4O3/c1-28(2)8-3-9-29-19-7-5-14(31)11-16(19)20-17-12-26-25(32)22(17)21-15-10-13(30)4-6-18(15)27-23(21)24(20)29/h4-7,10-11,27,30-31H,3,8-9,12H2,1-2H3,(H,26,32)
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n/an/a 31n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM50284317
PNG
(3-(9-methoxy-13-methyl-5,7-dioxo-6,7,12,13-tetrahy...)
Show SMILES COc1ccc2n(CCCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C26H20N4O3/c1-29-17-8-4-3-7-15(17)19-21-22(26(32)28-25(21)31)20-16-13-14(33-2)9-10-18(16)30(12-6-5-11-27)24(20)23(19)29/h3-4,7-10,13H,5-6,12H2,1-2H3,(H,28,31,32)
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n/an/a 32n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3040
PNG
(23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12
Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)
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n/an/a 32n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280870
PNG
(12-(2,2-difluoroethyl)-13-methyl-6,7,12,13-tetrahy...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CC(F)F)c3c12
Show InChI InChI=1S/C23H17F2N3O/c1-27-15-8-4-2-6-12(15)19-20-14(10-26-23(20)29)18-13-7-3-5-9-16(13)28(11-17(24)25)22(18)21(19)27/h2-9,17H,10-11H2,1H3,(H,26,29)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3047
PNG
(4-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O3/c1-29-17-10-9-14(33-2)13-16(17)20-22-21(25(31)28-26(22)32)19-15-7-3-4-8-18(15)30(12-6-5-11-27)24(19)23(20)29/h3-4,7-10,13H,5-6,12H2,1-2H3,(H,28,31,32)
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n/an/a 32n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3043
PNG
(3-{23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[1...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H16N4O2/c1-27-15-9-4-2-7-13(15)17-19-20(24(30)26-23(19)29)18-14-8-3-5-10-16(14)28(12-6-11-25)22(18)21(17)27/h2-5,7-10H,6,12H2,1H3,(H,26,29,30)
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n/an/a 38n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 40n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against cAMP-dependent protein kinase from bovine heart (A-kinase)

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3039
PNG
(23-[3-(dimethylamino)propyl]-3-methyl-3,13,23-tria...)
Show SMILES CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H26N4O/c1-28(2)13-8-14-30-20-12-7-5-10-17(20)21-18-15-27-26(31)23(18)22-16-9-4-6-11-19(16)29(3)24(22)25(21)30/h4-7,9-12H,8,13-15H2,1-3H3,(H,27,31)
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n/an/a 45n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3044
PNG
(3-{7-methoxy-23-methyl-12,14-dioxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(CCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-7-4-3-6-14(16)18-20-21(25(31)27-24(20)30)19-15-12-13(32-2)8-9-17(15)29(11-5-10-26)23(19)22(18)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 49n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM3045
PNG
(3-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-9-8-13(32-2)12-15(16)19-21-20(24(30)27-25(21)31)18-14-6-3-4-7-17(14)29(11-5-10-26)23(18)22(19)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 49n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3043
PNG
(3-{23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[1...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H16N4O2/c1-27-15-9-4-2-7-13(15)17-19-20(24(30)26-23(19)29)18-14-8-3-5-10-16(14)28(12-6-11-25)22(18)21(17)27/h2-5,7-10H,6,12H2,1H3,(H,26,29,30)
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n/an/a 55n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM3043
PNG
(3-{23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[1...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H16N4O2/c1-27-15-9-4-2-7-13(15)17-19-20(24(30)26-23(19)29)18-14-8-3-5-10-16(14)28(12-6-11-25)22(18)21(17)27/h2-5,7-10H,6,12H2,1H3,(H,26,29,30)
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n/an/a 55n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3034
PNG
(3-{7,19-dimethoxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H22N4O3/c1-29-19-7-5-14(32-2)11-16(19)22-23-18(13-28-26(23)31)21-17-12-15(33-3)6-8-20(17)30(10-4-9-27)25(21)24(22)29/h5-8,11-12H,4,10,13H2,1-3H3,(H,28,31)
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n/an/a 56n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280877
PNG
(2-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1n(CCC#N)c3ccccc3c21
Show InChI InChI=1S/C23H16N4O/c24-10-5-11-27-17-9-4-2-7-14(17)18-15-12-25-23(28)20(15)19-13-6-1-3-8-16(13)26-21(19)22(18)27/h1-4,6-9,26H,5,11-12H2,(H,25,28)
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n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM50280875
PNG
(3-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES NC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H18N4O2/c24-17(28)9-10-27-16-8-4-2-6-13(16)18-14-11-25-23(29)20(14)19-12-5-1-3-7-15(12)26-21(19)22(18)27/h1-8,26H,9-11H2,(H2,24,28)(H,25,29)
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n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against myosin light-chain kinase from chicken gizzard (M-kinase)

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Rattus norvegicus (rat))		BDBM3042
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-29(2)13-15(32)14-31-21-8-6-5-7-17(21)22-19-12-28-27(33)24(19)23-18-11-16(34-4)9-10-20(18)30(3)25(23)26(22)31/h5-11,15,32H,12-14H2,1-4H3,(H,28,33)
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n/an/a 86n/an/an/an/an/an/a



Tumor Biology Center



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

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280868
PNG
(12-(2,3-dihydroxypropyl)-6,7,12,13-tetrahydro-5H-i...)
Show SMILES OCC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H19N3O3/c27-11-12(28)10-26-17-8-4-2-6-14(17)18-15-9-24-23(29)20(15)19-13-5-1-3-7-16(13)25-21(19)22(18)26/h1-8,12,25,27-28H,9-11H2,(H,24,29)
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n/an/a 99n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280869
PNG
(13-methyl-12-propyl-6,7,12,13-tetrahydro-5H-indolo...)
Show SMILES CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C24H21N3O/c1-3-12-27-18-11-7-5-9-15(18)19-16-13-25-24(28)21(16)20-14-8-4-6-10-17(14)26(2)22(20)23(19)27/h4-11H,3,12-13H2,1-2H3,(H,25,28)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Protein kinase C alpha/beta/delta/epsilon/eta/gamma/theta/zeta type


(Rattus norvegicus-Rattus norvegicus (Rat)-Rattus n...)		BDBM50280875
PNG
(3-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES NC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H18N4O2/c24-17(28)9-10-27-16-8-4-2-6-13(16)18-14-11-25-23(29)20(14)19-12-5-1-3-7-15(12)26-21(19)22(18)27/h1-8,26H,9-11H2,(H2,24,28)(H,25,29)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against protein kinase C from rat brain

Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM50284318
PNG
(13-(3-dimethylamino-2-hydroxypropyl)-3-methoxy-12-...)
Show SMILES COc1ccc2n(CC(O)CN(C)C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-10-9-15(35-4)11-17(19)21-23-22(26(33)28-27(23)34)20-16-7-5-6-8-18(16)30(3)24(20)25(21)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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n/an/a 120n/an/an/an/an/an/a



Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3048
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-3-methyl-3,...)
Show SMILES CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H24N4O3/c1-28(2)12-14(31)13-30-18-11-7-5-9-16(18)20-22-21(25(32)27-26(22)33)19-15-8-4-6-10-17(15)29(3)23(19)24(20)30/h4-11,14,31H,12-13H2,1-3H3,(H,27,32,33)
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n/an/a 120n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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n/an/a 120n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM3048
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-3-methyl-3,...)
Show SMILES CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H24N4O3/c1-28(2)12-14(31)13-30-18-11-7-5-9-16(18)20-22-21(25(32)27-26(22)33)19-15-8-4-6-10-17(15)29(3)23(19)24(20)30/h4-11,14,31H,12-13H2,1-3H3,(H,27,32,33)
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Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))		BDBM3046
PNG
(3-{7,19-dimethoxy-23-methyl-12,14-dioxo-3,13,23-tr...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O4/c1-29-17-7-5-13(33-2)11-15(17)19-21-22(26(32)28-25(21)31)20-16-12-14(34-3)6-8-18(16)30(10-4-9-27)24(20)23(19)29/h5-8,11-12H,4,10H2,1-3H3,(H,28,31,32)
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Tumor Biology Center



Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM3046
PNG
(3-{7,19-dimethoxy-23-methyl-12,14-dioxo-3,13,23-tr...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O4/c1-29-17-7-5-13(33-2)11-15(17)19-21-22(26(32)28-25(21)31)20-16-12-14(34-3)6-8-18(16)30(10-4-9-27)24(20)23(19)29/h5-8,11-12H,4,10H2,1-3H3,(H,28,31,32)
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Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.

Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
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