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Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase (PKA)' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
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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PubMed
340 -37.5n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
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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460 -36.8n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM14031
PNG
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)
Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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2.20E+3 -32.8n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
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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>5.00E+3>-30.8n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKA


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens-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
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 0.900n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKA


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117503
PNG
(CHEMBL3613621)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
Show InChI InChI=1S/C23H27FN6O3/c1-29(2)13-23(22(32)28-16-6-4-5-15(11-16)21(31)33-3)7-9-30(10-8-23)20-18-17(24)12-25-19(18)26-14-27-20/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,32)(H,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117489
PNG
(CHEMBL3613598)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117631
PNG
(CHEMBL3613610)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)14-23(22(31)27-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)20-18-7-10-24-19(18)25-15-26-20/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,31)(H,24,25,26)
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n/an/a 1.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117632
PNG
(CHEMBL3613609)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29)
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n/an/a 2.20n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27250
PNG
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C53H97N31O9/c54-39-38-41(76-26-75-39)84(27-77-38)35-24-28(25-36(35)85)42(88)68-17-3-1-2-16-37(86)78-30(11-5-19-70-49(58)59)43(89)80-32(13-7-21-72-51(62)63)45(91)82-34(15-9-23-74-53(66)67)47(93)83-33(14-8-22-73-52(64)65)46(92)81-31(12-6-20-71-50(60)61)44(90)79-29(40(55)87)10-4-18-69-48(56)57/h26-36,85H,1-25H2,(H2,55,87)(H,68,88)(H,78,86)(H,79,90)(H,80,89)(H,81,92)(H,82,91)(H,83,93)(H2,54,75,76)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t28-,29+,30+,31+,32+,33+,34+,35+,36+/m0/s1
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n/an/a 2.41n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117370
PNG
(CHEMBL3613599)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28)
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n/an/a 2.60n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 2.70n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117629
PNG
(CHEMBL3613612)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)15-23(22(31)26-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)19-7-10-24-20-18(19)14-25-27-20/h4-7,10,13-14H,8-9,11-12,15H2,1-3H3,(H,26,31)(H,24,25,27)
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n/an/a 3.80n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117630
PNG
(CHEMBL3613611)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1
Show InChI InChI=1S/C22H27N7O3/c1-28(2)13-22(21(31)26-16-6-4-5-15(11-16)20(30)32-3)7-9-29(10-8-22)19-17-12-25-27-18(17)23-14-24-19/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,31)(H,23,24,25,27)
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n/an/a 5.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27249
PNG
(ARC-903 | N-[(1R)-4-carbamimidamido-1-{[(1R)-4-car...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O
Show InChI InChI=1S/C53H96N28O9S/c54-42(83)34(12-5-22-69-48(55)56)77-44(85)36(14-7-24-71-50(59)60)79-46(87)38(16-9-26-73-52(63)64)81-47(88)39(17-10-27-74-53(65)66)80-45(86)37(15-8-25-72-51(61)62)78-43(84)35(13-6-23-70-49(57)58)76-41(82)19-2-1-3-21-67-29-30-75-91(89,90)40-18-4-11-32-31-68-28-20-33(32)40/h4,11,18,20,28,31,34-39,67,75H,1-3,5-10,12-17,19,21-27,29-30H2,(H2,54,83)(H,76,82)(H,77,85)(H,78,84)(H,79,87)(H,80,86)(H,81,88)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)/t34-,35-,36-,37-,38-,39-/m1/s1
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n/an/a 5.30n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27227
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C64H118N34O13/c65-24-6-5-15-36(91-42(99)22-4-2-8-26-81-57(110)47-45(101)46(102)58(111-47)98-34-90-44-48(66)88-33-89-50(44)98)51(104)80-25-7-1-3-23-43(100)92-37(17-10-28-83-60(70)71)52(105)94-39(19-12-30-85-62(74)75)54(107)96-41(21-14-32-87-64(78)79)56(109)97-40(20-13-31-86-63(76)77)55(108)95-38(18-11-29-84-61(72)73)53(106)93-35(49(67)103)16-9-27-82-59(68)69/h33-41,45-47,58,101-102H,1-32,65H2,(H2,67,103)(H,80,104)(H,81,110)(H,91,99)(H,92,100)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H,97,109)(H2,66,88,89)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H4,78,79,87)/t35-,36-,37-,38-,39-,40-,41-,45+,46-,47+,58-/m1/s1
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n/an/a 5.32n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 5.40n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117635
PNG
(CHEMBL3613606)
Show SMILES CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H34N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h6-8,14-15,17H,5,9-13,16H2,1-4H3,(H,30,34)(H,27,28,29)
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n/an/a 5.80n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117300
PNG
(CHEMBL3613604)
Show SMILES COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-17-14-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-19-7-5-6-18(12-19)13-20(32)34-4/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27248
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C52H95N31O11/c53-37-33-39(75-24-74-37)83(25-76-33)46-35(86)34(85)36(94-46)45(93)67-17-3-1-2-16-32(84)77-27(11-5-19-69-48(57)58)40(88)79-29(13-7-21-71-50(61)62)42(90)81-31(15-9-23-73-52(65)66)44(92)82-30(14-8-22-72-51(63)64)43(91)80-28(12-6-20-70-49(59)60)41(89)78-26(38(54)87)10-4-18-68-47(55)56/h24-31,34-36,46,85-86H,1-23H2,(H2,54,87)(H,67,93)(H,77,84)(H,78,89)(H,79,88)(H,80,91)(H,81,90)(H,82,92)(H2,53,74,75)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t26-,27-,28-,29-,30-,31-,34+,35-,36+,46-/m1/s1
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n/an/a 8.30n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27226
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C52H94N26O11/c53-20-6-5-13-30(73-34(79)18-4-2-8-22-65-47(88)39-37(81)38(82)48(89-39)78-28-72-36-40(54)70-27-71-42(36)78)43(84)64-21-7-1-3-19-35(80)74-31(15-10-24-67-50(58)59)44(85)76-33(17-12-26-69-52(62)63)46(87)77-32(16-11-25-68-51(60)61)45(86)75-29(41(55)83)14-9-23-66-49(56)57/h27-33,37-39,48,81-82H,1-26,53H2,(H2,55,83)(H,64,84)(H,65,88)(H,73,79)(H,74,80)(H,75,86)(H,76,85)(H,77,87)(H2,54,70,71)(H4,56,57,66)(H4,58,59,67)(H4,60,61,68)(H4,62,63,69)/t29-,30-,31-,32-,33-,37+,38-,39+,48-/m1/s1
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n/an/a 13.4n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 15n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27229
PNG
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES C[C@@H](NC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C38H65N17O7/c1-22(52-28(57)12-4-2-7-15-46-35(61)23-18-26(27(56)19-23)55-21-51-30-31(39)49-20-50-33(30)55)34(60)45-14-6-3-5-13-29(58)53-25(11-9-17-48-38(43)44)36(62)54-24(32(40)59)10-8-16-47-37(41)42/h20-27,56H,2-19H2,1H3,(H2,40,59)(H,45,60)(H,46,61)(H,52,57)(H,53,58)(H,54,62)(H2,39,49,50)(H4,41,42,47)(H4,43,44,48)/t22-,23+,24-,25-,26-,27-/m1/s1
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n/an/a 21.1n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117634
PNG
(CHEMBL3613607)
Show SMILES CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H34N6O3/c1-17(2)35-24(33)19-7-6-8-20(13-19)30-25(34)26(15-31(4)5)9-11-32(12-10-26)23-21-18(3)14-27-22(21)28-16-29-23/h6-8,13-14,16-17H,9-12,15H2,1-5H3,(H,30,34)(H,27,28,29)
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n/an/a 22n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117633
PNG
(CHEMBL3613608)
Show SMILES CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1/C27H36N6O3/c1-6-19(3)36-25(34)20-8-7-9-21(14-20)31-26(35)27(16-32(4)5)10-12-33(13-11-27)24-22-18(2)15-28-23(22)29-17-30-24/h7-9,14-15,17,19H,6,10-13,16H2,1-5H3,(H,31,35)(H,28,29,30)
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n/an/a 24n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117315
PNG
(CHEMBL3613600)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(12-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 24n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27225
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1
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n/an/a 54n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117627
PNG
(CHEMBL3613614)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C20H22N6O3/c1-29-18(27)13-3-2-4-14(11-13)25-19(28)20(21)6-9-26(10-7-20)17-15-5-8-22-16(15)23-12-24-17/h2-5,8,11-12H,6-7,9-10,21H2,1H3,(H,25,28)(H,22,23,24)
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n/an/a 69n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-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
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 80n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of protein kinase A (PKA)


J Med Chem 45: 3772-93 (2002)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117303
PNG
(CHEMBL3613601)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C21H24N6O3/c1-13-11-23-17-16(13)18(25-12-24-17)27-8-6-21(22,7-9-27)20(29)26-15-5-3-4-14(10-15)19(28)30-2/h3-5,10-12H,6-9,22H2,1-2H3,(H,26,29)(H,23,24,25)
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n/an/a 81n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27228
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1
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n/an/a 97n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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n/an/a 100n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117502
PNG
(CHEMBL3613622)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1
Show InChI InChI=1S/C24H30N6O3/c1-16-12-19-20(27-16)25-15-26-21(19)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(13-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 332n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117626
PNG
(CHEMBL3613615)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1
Show InChI InChI=1S/C18H21N5O3/c1-26-16(24)13-3-2-4-14(11-13)22-17(25)18(19)6-9-23(10-7-18)15-5-8-20-12-21-15/h2-5,8,11-12H,6-7,9-10,19H2,1H3,(H,22,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117505
PNG
(CHEMBL3613619)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1
Show InChI InChI=1S/C20H24N6O4/c1-13(27)23-19-22-9-6-16(25-19)26-10-7-20(21,8-11-26)18(29)24-15-5-3-4-14(12-15)17(28)30-2/h3-6,9,12H,7-8,10-11,21H2,1-2H3,(H,24,29)(H,22,23,25,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117581
PNG
(CHEMBL3613618)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1
Show InChI InChI=1S/C20H24N6O4/c1-13(27)24-16-11-17(23-12-22-16)26-8-6-20(21,7-9-26)19(29)25-15-5-3-4-14(10-15)18(28)30-2/h3-5,10-12H,6-9,21H2,1-2H3,(H,25,29)(H,22,23,24,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50192071
PNG
((13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahe...)
Show SMILES C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKA


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117625
PNG
(CHEMBL3613616)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
Show InChI InChI=1S/C18H22N6O3/c1-27-16(25)12-3-2-4-13(9-12)23-17(26)18(20)5-7-24(8-6-18)15-10-14(19)21-11-22-15/h2-4,9-11H,5-8,20H2,1H3,(H,23,26)(H2,19,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117598
PNG
(CHEMBL3613617)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1
Show InChI InChI=1S/C18H22N6O3/c1-27-15(25)12-3-2-4-13(11-12)22-16(26)18(20)6-9-24(10-7-18)14-5-8-21-17(19)23-14/h2-5,8,11H,6-7,9-10,20H2,1H3,(H,22,26)(H2,19,21,23)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117628
PNG
(CHEMBL3613613)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1
Show InChI InChI=1S/C23H28N6O4/c1-28(2)13-23(22(32)26-16-6-4-5-15(11-16)21(31)33-3)7-9-29(10-8-23)20-17-12-18(30)27-19(17)24-14-25-20/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,26,32)(H,24,25,27,30)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27224
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C22H35N11O6/c23-17-13-19(30-9-29-17)33(10-31-13)21-15(36)14(35)16(39-21)20(38)27-7-3-1-2-6-12(34)32-11(18(24)37)5-4-8-28-22(25)26/h9-11,14-16,21,35-36H,1-8H2,(H2,24,37)(H,27,38)(H,32,34)(H2,23,29,30)(H4,25,26,28)/t11-,14+,15-,16+,21-/m1/s1
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n/an/a 2.10E+3n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27222
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C28H47N15O7/c29-21-17-23(39-12-38-21)43(13-40-17)26-19(46)18(45)20(50-26)25(49)35-9-3-1-2-8-16(44)41-15(7-5-11-37-28(33)34)24(48)42-14(22(30)47)6-4-10-36-27(31)32/h12-15,18-20,26,45-46H,1-11H2,(H2,30,47)(H,35,49)(H,41,44)(H,42,48)(H2,29,38,39)(H4,31,32,36)(H4,33,34,37)/t14-,15-,18+,19-,20+,26-/m1/s1
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n/an/a 2.60E+3n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Inhibition of PKA


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent protein kinase


J Med Chem 45: 2366-78 (2002)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent protein kinase


J Med Chem 45: 2366-78 (2002)

More data for this
Ligand-Target Pair
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