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PubMed code 16699172

Compile data set for download or QSAR
Found 59 hits of Enzyme Inhibition Constant Data   
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
Rho-associated protein kinase 2


(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 1.20n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-33P] ATP. After incubatio...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A]


(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<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
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<45n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M]


(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<45n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A]


(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<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A]


(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<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A]


(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<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A]


(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<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [E127D]


(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<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a<45n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I]


(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 47n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A]


(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 51n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 56n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 109n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 149n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 222n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 293n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 394n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 426n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 485n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [E127D]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 493n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 541n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 607n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 870n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 893n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 1.13E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 1.35E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 1.49E+3n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M]


(Bos taurus (bovine))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 1.52E+3n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [E127D]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 1.95E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 2.01E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 2.28E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [E127D]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 2.45E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 5.54E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M]


(Bos taurus (bovine))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 7.61E+3n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I]


(Bos taurus (bovine))		BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 1.03E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [E127D]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 2.80E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 4.20E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M]


(Bos taurus (bovine))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 6.00E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...

J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%