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Compile Data Set for Download or QSAR

Found 105 hits of Enz. Inhib. data with enzyme = 'cAMP-dependent protein kinase (PKA)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 682n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
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 853n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37913
PNG
(MLS000065710 | N-(5-pyridin-4-yl-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C13H10N4OS2/c18-11(8-10-2-1-7-19-10)15-13-17-16-12(20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,17,18)
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n/an/a 1.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37203
PNG
(6-(2-methyl-2,3-dihydroindol-1-yl)-7H-purine | 6-(...)
Show SMILES CC1Cc2ccccc2N1c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H13N5/c1-9-6-10-4-2-3-5-11(10)19(9)14-12-13(16-7-15-12)17-8-18-14/h2-5,7-9H,6H2,1H3,(H,15,16,17,18)
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n/an/a 3.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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n/an/a 4.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37935
PNG
(6-(4-piperonylpiperazino)-7H-purine | 6-[4-(1,3-be...)
Show SMILES C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H18N6O2/c1-2-13-14(25-11-24-13)7-12(1)8-22-3-5-23(6-4-22)17-15-16(19-9-18-15)20-10-21-17/h1-2,7,9-10H,3-6,8,11H2,(H,18,19,20,21)
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n/an/a 5.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37886
PNG
(4-(2-methyl-1-piperidinyl)-2-pyridin-4-ylquinazoli...)
Show SMILES CC1CCCCN1c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C19H20N4/c1-14-6-4-5-13-23(14)19-16-7-2-3-8-17(16)21-18(22-19)15-9-11-20-12-10-15/h2-3,7-12,14H,4-6,13H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM50216682
PNG
(1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...)
Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3
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n/an/a 6.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37924
PNG
(6-(1-piperidinyl)-7H-purine | 6-piperidin-1-yl-7H-...)
Show SMILES C1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)
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n/an/a 6.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37931
PNG
(MLS000101220 | N-cyclopentyl-7H-purin-6-amine | SM...)
Show SMILES C1CCC(C1)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H13N5/c1-2-4-7(3-1)15-10-8-9(12-5-11-8)13-6-14-10/h5-7H,1-4H2,(H2,11,12,13,14,15)
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n/an/a 8.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37908
PNG
(MLS000086548 | N-[4-(difluoromethylsulfanyl)phenyl...)
Show SMILES FC(F)Sc1ccc(Nc2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C12H9F2N5S/c13-12(14)20-8-3-1-7(2-4-8)19-11-9-10(16-5-15-9)17-6-18-11/h1-6,12H,(H2,15,16,17,18,19)
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n/an/a 8.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37879
PNG
(MLS000079197 | N-cyclohexyl-7H-purin-6-amine | SMR...)
Show SMILES C1CCC(CC1)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16)
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n/an/a 8.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37933
PNG
(6-[4-(2-methoxyphenyl)-1-piperazinyl]-7H-purine | ...)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C16H18N6O/c1-23-13-5-3-2-4-12(13)21-6-8-22(9-7-21)16-14-15(18-10-17-14)19-11-20-16/h2-5,10-11H,6-9H2,1H3,(H,17,18,19,20)
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n/an/a 9.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37883
PNG
(2-(4-pyridyl)-4-pyrrolidino-quinazoline | 2-pyridi...)
Show SMILES C1CCN(C1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C17H16N4/c1-2-6-15-14(5-1)17(21-11-3-4-12-21)20-16(19-15)13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2
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n/an/a 9.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37917
PNG
(4-(4-methyl-1-piperazinyl)-2-(4-pyridinyl)quinazol...)
Show SMILES CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
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n/an/a 9.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37919
PNG
(4-[5-[2-(tosylamino)ethylthio]tetrazol-1-yl]benzam...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCSc1nnnn1-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C17H18N6O3S2/c1-12-2-8-15(9-3-12)28(25,26)19-10-11-27-17-20-21-22-23(17)14-6-4-13(5-7-14)16(18)24/h2-9,19H,10-11H2,1H3,(H2,18,24)
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37936
PNG
(MLS000101216 | N-cycloheptyl-7H-purin-6-amine | SM...)
Show SMILES C1CCCC(CC1)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C12H17N5/c1-2-4-6-9(5-3-1)17-12-10-11(14-7-13-10)15-8-16-12/h7-9H,1-6H2,(H2,13,14,15,16,17)
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n/an/a 1.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37907
PNG
(4-(4-methoxyphenyl)-6-(4-morpholinyl)-2H-pyrazolo[...)
Show SMILES COc1ccc(cc1)-c1nc(nc2n[nH]c(N)c12)N1CCOCC1
Show InChI InChI=1S/C16H18N6O2/c1-23-11-4-2-10(3-5-11)13-12-14(17)20-21-15(12)19-16(18-13)22-6-8-24-9-7-22/h2-5H,6-9H2,1H3,(H3,17,18,19,20,21)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM34411
PNG
(1-{[6-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]th...)
Show SMILES C(c1nnc2sc(nn12)-c1cccnc1)n1cnc2ccccc12
Show InChI InChI=1S/C16H11N7S/c1-2-6-13-12(5-1)18-10-22(13)9-14-19-20-16-23(14)21-15(24-16)11-4-3-7-17-8-11/h1-8,10H,9H2
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM50182878
PNG
(3-(pyridin-4-yl)-1H-indole | CHEMBL380071 | cid_64...)
Show SMILES c1[nH]c2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
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n/an/a 1.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37927
PNG
(1-(7H-purin-6-yl)-4-piperidinol | 1-(7H-purin-6-yl...)
Show SMILES OC1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O/c16-7-1-3-15(4-2-7)10-8-9(12-5-11-8)13-6-14-10/h5-7,16H,1-4H2,(H,11,12,13,14)
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37934
PNG
(1-(7H-purin-6-yl)-4-piperidinecarboxylic acid ethy...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H17N5O2/c1-2-20-13(19)9-3-5-18(6-4-9)12-10-11(15-7-14-10)16-8-17-12/h7-9H,2-6H2,1H3,(H,14,15,16,17)
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37942
PNG
(4-(4-methyl-1-piperidinyl)-2-pyridin-4-ylquinazoli...)
Show SMILES CC1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C19H20N4/c1-14-8-12-23(13-9-14)19-16-4-2-3-5-17(16)21-18(22-19)15-6-10-20-11-7-15/h2-7,10-11,14H,8-9,12-13H2,1H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37911
PNG
(5-methyl-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiaz...)
Show SMILES Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O2S/c1-11-14(15(23-25-11)12-5-3-2-4-6-12)16(24)20-18-22-21-17(26-18)13-7-9-19-10-8-13/h2-10H,1H3,(H,20,22,24)
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37923
PNG
(1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)imidazo[1...)
Show SMILES COc1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1
Show InChI InChI=1S/C20H16N4O3/c1-25-15-5-2-13(3-6-15)19-20(24-9-8-21-11-18(24)23-19)22-14-4-7-16-17(10-14)27-12-26-16/h2-11,22H,12H2,1H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37896
PNG
((4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1,...)
Show SMILES O=C(OCn1nnc2ccccc2c1=O)c1ccc2ncsc2c1
Show InChI InChI=1S/C16H10N4O3S/c21-15-11-3-1-2-4-12(11)18-19-20(15)9-23-16(22)10-5-6-13-14(7-10)24-8-17-13/h1-8H,9H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37891
PNG
(4-(2-ethyl-1-piperidinyl)-2-pyridin-4-ylquinazolin...)
Show SMILES CCC1CCCCN1c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C20H22N4/c1-2-16-7-5-6-14-24(16)20-17-8-3-4-9-18(17)22-19(23-20)15-10-12-21-13-11-15/h3-4,8-13,16H,2,5-7,14H2,1H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37890
PNG
(3-methoxypropyl-[2-(4-pyridyl)quinazolin-4-yl]amin...)
Show SMILES COCCCNc1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C17H18N4O/c1-22-12-4-9-19-17-14-5-2-3-6-15(14)20-16(21-17)13-7-10-18-11-8-13/h2-3,5-8,10-11H,4,9,12H2,1H3,(H,19,20,21)
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n/an/a 1.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37932
PNG
(6-(1-azepanyl)-7H-purine | 6-(azepan-1-yl)-7H-puri...)
Show SMILES C1CCCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H15N5/c1-2-4-6-16(5-3-1)11-9-10(13-7-12-9)14-8-15-11/h7-8H,1-6H2,(H,12,13,14,15)
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n/an/a 1.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM36919
PNG
(2-[(4-chlorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Clc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10ClN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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n/an/a 1.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37928
PNG
(2-(1H-indol-3-yl)ethyl-(7H-purin-6-yl)amine | MLS0...)
Show SMILES C(Cc1c[nH]c2ccccc12)Nc1ncnc2nc[nH]c12
Show InChI InChI=1S/C15H14N6/c1-2-4-12-11(3-1)10(7-17-12)5-6-16-14-13-15(19-8-18-13)21-9-20-14/h1-4,7-9,17H,5-6H2,(H2,16,18,19,20,21)
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n/an/a 1.74E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37880
PNG
(3-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]in...)
Show SMILES COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
Show InChI InChI=1S/C16H13N3O3/c1-21-10-4-5-13-12(7-10)14-15(18-13)16(20)19(9-17-14)8-11-3-2-6-22-11/h2-7,9,18H,8H2,1H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37941
PNG
(MLS000111874 | SMR000107793 | cid_360857)
Show SMILES c1sc2ncn3cnnc3c2c1-c1ccccc1
Show InChI InChI=1S/C13H8N4S/c1-2-4-9(5-3-1)10-6-18-13-11(10)12-16-15-8-17(12)7-14-13/h1-8H
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37874
PNG
(7-Benzyl-3-pyridin-4-yl-7H-pyrazolo[4,3-e][1,2,4]t...)
Show SMILES C(c1ccccc1)n1ncc2c1ncn1c(nnc21)-c1ccncc1
Show InChI InChI=1S/C18H13N7/c1-2-4-13(5-3-1)11-25-17-15(10-21-25)18-23-22-16(24(18)12-20-17)14-6-8-19-9-7-14/h1-10,12H,11H2
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n/an/a>1.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37888
PNG
(MLS000078634 | SMR000034720 | cid_660787)
Show SMILES C(c1ccccc1)n1ncc2c1ncn1nc(nc21)-c1ccncc1
Show InChI InChI=1S/C18H13N7/c1-2-4-13(5-3-1)11-24-17-15(10-21-24)18-22-16(23-25(18)12-20-17)14-6-8-19-9-7-14/h1-10,12H,11H2
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n/an/a>1.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37909
PNG
(MLS000065989 | N-(4-methyl-1,3-thiazol-2-yl)-2-[(5...)
Show SMILES Cc1csc(NC(=O)CSc2nnc(o2)-c2ccncc2)n1
Show InChI InChI=1S/C13H11N5O2S2/c1-8-6-21-12(15-8)16-10(19)7-22-13-18-17-11(20-13)9-2-4-14-5-3-9/h2-6H,7H2,1H3,(H,15,16,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM50013720
PNG
(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | C...)
Show SMILES Nc1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
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n/an/a 2.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37940
PNG
(6-(2-phenoxyethylsulfanyl)-7H-purine | 6-(2-phenox...)
Show SMILES C(CSc1ncnc2nc[nH]c12)Oc1ccccc1
Show InChI InChI=1S/C13H12N4OS/c1-2-4-10(5-3-1)18-6-7-19-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
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n/an/a 2.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37356
PNG
(1-Phenyl-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-yls...)
Show SMILES O=C(CSc1nnc([nH]1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C15H12N4OS/c20-13(11-4-2-1-3-5-11)10-21-15-17-14(18-19-15)12-6-8-16-9-7-12/h1-9H,10H2,(H,17,18,19)
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n/an/a 2.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37893
PNG
(3-(2-furanylmethyl)-8-methoxy-5-methyl-4-pyrimido[...)
Show SMILES COc1ccc2n(C)c3c(ncn(Cc4ccco4)c3=O)c2c1
Show InChI InChI=1S/C17H15N3O3/c1-19-14-6-5-11(22-2)8-13(14)15-16(19)17(21)20(10-18-15)9-12-4-3-7-23-12/h3-8,10H,9H2,1-2H3
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n/an/a 2.49E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37926
PNG
(4-(7H-purin-6-yl)-1-piperazinecarboxylic acid ethy...)
Show SMILES CCOC(=O)N1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C12H16N6O2/c1-2-20-12(19)18-5-3-17(4-6-18)11-9-10(14-7-13-9)15-8-16-11/h7-8H,2-6H2,1H3,(H,13,14,15,16)
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n/an/a 2.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37244
PNG
(2-[(1H-indazol-5-ylamino)methylene]-5,5-dimethyl-c...)
Show SMILES CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1
Show InChI InChI=1S/C16H17N3O2/c1-16(2)6-14(20)12(15(21)7-16)9-17-11-3-4-13-10(5-11)8-18-19-13/h3-5,8-9,17H,6-7H2,1-2H3,(H,18,19)
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n/an/a 2.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37900
PNG
(8-(7H-purin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane ...)
Show SMILES C1COC2(CCN(CC2)c2ncnc3nc[nH]c23)O1
Show InChI InChI=1S/C12H15N5O2/c1-3-17(4-2-12(1)18-5-6-19-12)11-9-10(14-7-13-9)15-8-16-11/h7-8H,1-6H2,(H,13,14,15,16)
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n/an/a 2.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37943
PNG
(MLS000104363 | N-[(Z)-3-indolylidenemethyl]hydroxy...)
Show SMILES O=NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c12-11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10H,6H2
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n/an/a 3.44E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37903
PNG
(6-(1-pyrrolidinyl)-7H-purine | 6-pyrrolidin-1-yl-7...)
Show SMILES C1CCN(C1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
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n/an/a 3.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM34292
PNG
(3-(1-benzotriazolylmethyl)-6-(3-pyridinyl)-[1,2,4]...)
Show SMILES C(c1nnc2sc(nn12)-c1cccnc1)n1nnc2ccccc12
Show InChI InChI=1S/C15H10N8S/c1-2-6-12-11(5-1)17-21-22(12)9-13-18-19-15-23(13)20-14(24-15)10-4-3-7-16-8-10/h1-8H,9H2
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n/an/a 3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37895
PNG
(4-pyridinecarboxylic acid [1-(3-chloroanilino)-1-o...)
Show SMILES CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c1-10(21-15(20)11-5-7-17-8-6-11)14(19)18-13-4-2-3-12(16)9-13/h2-10H,1H3,(H,18,19)
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n/an/a 3.60E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37929
PNG
((3-chloro-4-methyl-phenyl)-(7H-purin-6-yl)amine | ...)
Show SMILES Cc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl
Show InChI InChI=1S/C12H10ClN5/c1-7-2-3-8(4-9(7)13)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
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UniChem
n/an/a 3.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37894
PNG
(2-(1-benzimidazolyl)acetic acid [2-[(2-methoxy-3-d...)
Show SMILES COc1cc2c(cc1NC(=O)COC(=O)Cn1cnc3ccccc13)oc1ccccc21
Show InChI InChI=1S/C24H19N3O5/c1-30-22-10-16-15-6-2-5-9-20(15)32-21(16)11-18(22)26-23(28)13-31-24(29)12-27-14-25-17-7-3-4-8-19(17)27/h2-11,14H,12-13H2,1H3,(H,26,28)
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n/an/a 3.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM37868
PNG
(MLS000074828 | N-(2-Methoxy-benzyl)-2-(5-pyridin-4...)
Show SMILES COc1ccccc1CNC(=O)Cn1nnc(n1)-c1ccncc1
Show InChI InChI=1S/C16H16N6O2/c1-24-14-5-3-2-4-13(14)10-18-15(23)11-22-20-16(19-21-22)12-6-8-17-9-7-12/h2-9H,10-11H2,1H3,(H,18,23)
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n/an/a 3.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24X565S
More data for this
Ligand-Target Pair
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