BindingDB logo
myBDB logout

PubMed code 16249095

Compile data set for download or QSAR
Found 43 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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16222
PNG
(CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15218
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15198
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3,4-dichlorobe...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O3S/c21-18-5-4-15(12-19(18)22)14-28-11-10-23-8-9-25-29(26,27)20-3-1-2-16-13-24-7-6-17(16)20/h1-7,12-13,23,25H,8-11,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16222
PNG
(CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 260n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15220
PNG
(4-Methylisoquinoline-5-sulfonic acid (2S,4S)-(2-(4...)
Show SMILES Cc1cncc2cccc(c12)S(=O)(=O)N[C@@H]1CN[C@H](COCc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C22H24ClN3O3S/c1-15-10-24-11-17-3-2-4-21(22(15)17)30(27,28)26-19-9-20(25-12-19)14-29-13-16-5-7-18(23)8-6-16/h2-8,10-11,19-20,25-26H,9,12-14H2,1H3/t19-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15196
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-chlorobenzyl...)
Show SMILES Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-5-1-3-16(13-18)15-27-12-11-22-9-10-24-28(25,26)20-6-2-4-17-14-23-8-7-19(17)20/h1-8,13-14,22,24H,9-12,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15216
PNG
(Isoquinoline-5-sulfonic acid (2S,4R)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15196
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-chlorobenzyl...)
Show SMILES Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-5-1-3-16(13-18)15-27-12-11-22-9-10-24-28(25,26)20-6-2-4-17-14-23-8-7-19(17)20/h1-8,13-14,22,24H,9-12,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15215
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(2-(4-chlorob...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)13-28-14-19-10-18(12-24-19)25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15218
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15221
PNG
(1-Hydroxyisoquinoline-5-sulfonic acid (2S,4S)-(2-(...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3c2cc[nH]c3=O)cc1
Show InChI InChI=1S/C21H22ClN3O4S/c22-15-6-4-14(5-7-15)12-29-13-17-10-16(11-24-17)25-30(27,28)20-3-1-2-19-18(20)8-9-23-21(19)26/h1-9,16-17,24-25H,10-13H2,(H,23,26)/t16-,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15192
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-methylbenzyl...)
Show SMILES Cc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H25N3O3S/c1-17-5-2-3-6-19(17)16-27-14-13-22-11-12-24-28(25,26)21-8-4-7-18-15-23-10-9-20(18)21/h2-10,15,22,24H,11-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15215
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(2-(4-chlorob...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)13-28-14-19-10-18(12-24-19)25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15195
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-chlorobenzyl...)
Show SMILES Clc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C20H22ClN3O3S/c21-19-6-2-1-4-17(19)15-27-13-12-22-10-11-24-28(25,26)20-7-3-5-16-14-23-9-8-18(16)20/h1-9,14,22,24H,10-13,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 960n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15195
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-chlorobenzyl...)
Show SMILES Clc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C20H22ClN3O3S/c21-19-6-2-1-4-17(19)15-27-13-12-22-10-11-24-28(25,26)20-7-3-5-16-14-23-9-8-18(16)20/h1-9,14,22,24H,10-13,15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15193
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-methylbenzyl...)
Show SMILES Cc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C21H25N3O3S/c1-17-4-2-5-18(14-17)16-27-13-12-22-10-11-24-28(25,26)21-7-3-6-19-15-23-9-8-20(19)21/h2-9,14-15,22,24H,10-13,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15191
PNG
(Isoquinoline-5-sulfonic acid (2-(2-benzyloxyethyla...)
Show SMILES O=S(=O)(NCCNCCOCc1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H23N3O3S/c24-27(25,20-8-4-7-18-15-22-10-9-19(18)20)23-12-11-21-13-14-26-16-17-5-2-1-3-6-17/h1-10,15,21,23H,11-14,16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.17E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15221
PNG
(1-Hydroxyisoquinoline-5-sulfonic acid (2S,4S)-(2-(...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3c2cc[nH]c3=O)cc1
Show InChI InChI=1S/C21H22ClN3O4S/c22-15-6-4-14(5-7-15)12-29-13-17-10-16(11-24-17)25-30(27,28)20-3-1-2-19-18(20)8-9-23-21(19)26/h1-9,16-17,24-25H,10-13H2,(H,23,26)/t16-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15194
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(4-methylbenzyl...)
Show SMILES Cc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H25N3O3S/c1-17-5-7-18(8-6-17)16-27-14-13-22-11-12-24-28(25,26)21-4-2-3-19-15-23-10-9-20(19)21/h2-10,15,22,24H,11-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.53E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15216
PNG
(Isoquinoline-5-sulfonic acid (2S,4R)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15219
PNG
(Isoquinoline-5-sulfonic acid (2R*,5S*)-(5-(4-chlor...)
Show SMILES Clc1ccc(COC[C@@H]2CC[C@H](CNS(=O)(=O)c3cccc4cnccc34)N2)cc1
Show InChI InChI=1S/C22H24ClN3O3S/c23-18-6-4-16(5-7-18)14-29-15-20-9-8-19(26-20)13-25-30(27,28)22-3-1-2-17-12-24-11-10-21(17)22/h1-7,10-12,19-20,25-26H,8-9,13-15H2/t19-,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15200
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-methoxybenzy...)
Show SMILES COc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C21H25N3O4S/c1-27-19-6-2-4-17(14-19)16-28-13-12-22-10-11-24-29(25,26)21-7-3-5-18-15-23-9-8-20(18)21/h2-9,14-15,22,24H,10-13,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15220
PNG
(4-Methylisoquinoline-5-sulfonic acid (2S,4S)-(2-(4...)
Show SMILES Cc1cncc2cccc(c12)S(=O)(=O)N[C@@H]1CN[C@H](COCc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C22H24ClN3O3S/c1-15-10-24-11-17-3-2-4-21(22(15)17)30(27,28)26-19-9-20(25-12-19)14-29-13-16-5-7-18(23)8-6-16/h2-8,10-11,19-20,25-26H,9,12-14H2,1H3/t19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15201
PNG
(N-[2-({2-[(4-methoxyphenyl)methoxy]ethyl}amino)eth...)
Show SMILES COc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H25N3O4S/c1-27-19-7-5-17(6-8-19)16-28-14-13-22-11-12-24-29(25,26)21-4-2-3-18-15-23-10-9-20(18)21/h2-10,15,22,24H,11-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15217
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(4-(benzyloxy...)
Show SMILES O=S(=O)(NC[C@@H]1C[C@@H](CN1)OCc1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C21H23N3O3S/c25-28(26,21-8-4-7-17-12-22-10-9-20(17)21)24-13-18-11-19(14-23-18)27-15-16-5-2-1-3-6-16/h1-10,12,18-19,23-24H,11,13-15H2/t18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15204
PNG
(Isoquinoline-5-sulfonic acid piperidin-4-ylamide |...)
Show SMILES O=S(=O)(NC1CCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-12-4-7-15-8-5-12)14-3-1-2-11-10-16-9-6-13(11)14/h1-3,6,9-10,12,15,17H,4-5,7-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15208
PNG
(Isoquinoline-5-sulfonic acid pyrrolidin-3-ylamide ...)
Show SMILES O=S(=O)(NC1CCNC1)c1cccc2cnccc12
Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15202
PNG
(N-(3-aminopropyl)isoquinoline-5-sulfonamide | isoq...)
Show SMILES NCCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N3O2S/c13-6-2-7-15-18(16,17)12-4-1-3-10-9-14-8-5-11(10)12/h1,3-5,8-9,15H,2,6-7,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15214
PNG
(Isoquinoline-5-sulfonic acid (2S,4R)-[2-(4-chlorob...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)13-28-14-19-10-18(12-24-19)25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15210
PNG
(CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...)
Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15207
PNG
(Isoquinoline-5-sulfonic acid trans-(4-aminocyclohe...)
Show SMILES N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C15H19N3O2S/c16-12-4-6-13(7-5-12)18-21(19,20)15-3-1-2-11-10-17-9-8-14(11)15/h1-3,8-10,12-13,18H,4-7,16H2/t12-,13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15212
PNG
(Isoquinoline-5-sulfonic acid trans-(4-benzylaminoc...)
Show SMILES O=S(=O)(N[C@H]1CC[C@@H](CC1)NCc1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C22H25N3O2S/c26-28(27,22-8-4-7-18-16-23-14-13-21(18)22)25-20-11-9-19(10-12-20)24-15-17-5-2-1-3-6-17/h1-8,13-14,16,19-20,24-25H,9-12,15H2/t19-,20-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15199
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-methoxybenzy...)
Show SMILES COc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H25N3O4S/c1-27-20-7-3-2-5-18(20)16-28-14-13-22-11-12-24-29(25,26)21-8-4-6-17-15-23-10-9-19(17)21/h2-10,15,22,24H,11-14,16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15210
PNG
(CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...)
Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15207
PNG
(Isoquinoline-5-sulfonic acid trans-(4-aminocyclohe...)
Show SMILES N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C15H19N3O2S/c16-12-4-6-13(7-5-12)18-21(19,20)15-3-1-2-11-10-17-9-8-14(11)15/h1-3,8-10,12-13,18H,4-7,16H2/t12-,13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15204
PNG
(Isoquinoline-5-sulfonic acid piperidin-4-ylamide |...)
Show SMILES O=S(=O)(NC1CCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-12-4-7-15-8-5-12)14-3-1-2-11-10-16-9-6-13(11)14/h1-3,6,9-10,12,15,17H,4-5,7-8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.70E+3n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15213
PNG
(5-[(3-{[(4-chlorophenyl)methoxy]methyl}piperazine-...)
Show SMILES Clc1ccc(COCC2CN(CCN2)S(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-18-6-4-16(5-7-18)14-28-15-19-13-25(11-10-24-19)29(26,27)21-3-1-2-17-12-23-9-8-20(17)21/h1-9,12,19,24H,10-11,13-15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15203
PNG
(5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...)
Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15205
PNG
(1-(isoquinoline-5-sulfonyl)piperidin-4-amine | Iso...)
Show SMILES NC1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c15-12-5-8-17(9-6-12)20(18,19)14-3-1-2-11-10-16-7-4-13(11)14/h1-4,7,10,12H,5-6,8-9,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15209
PNG
(Isoquinoline-5-sulfonic acid ((2S)-pyrrolidin-2-yl...)
Show SMILES O=S(=O)(NC[C@@H]1CCCN1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-10-12-4-2-7-16-12)14-5-1-3-11-9-15-8-6-13(11)14/h1,3,5-6,8-9,12,16-17H,2,4,7,10H2/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15206
PNG
(Isoquinoline-5-sulfonic acid (piperidin-4-ylmethyl...)
Show SMILES O=S(=O)(NCC1CCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C15H19N3O2S/c19-21(20,18-10-12-4-7-16-8-5-12)15-3-1-2-13-11-17-9-6-14(13)15/h1-3,6,9,11-12,16,18H,4-5,7-8,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%