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PubMed code 18345609

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376061
PNG
(CHEMBL409503)
Show SMILES NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-13(2-4-14)9-18(10-20)5-7-25(8-6-18)17-15-16(22-11-21-15)23-12-24-17/h1-4,11-12H,5-10,20H2,(H,21,22,23,24)
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PubMed
n/an/a 3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376067
PNG
(CHEMBL260000)
Show SMILES NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
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n/an/a 5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 6n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376059
PNG
(CHEMBL259998)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c18-13-3-1-12(2-4-13)17(19)6-9-23(10-7-17)16-14-5-8-20-15(14)21-11-22-16/h1-5,8,11H,6-7,9-10,19H2,(H,20,21,22)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376060
PNG
(CHEMBL407504)
Show SMILES NC1(CCN(CC1)c1ncnc2nc[nH]c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6/c17-12-3-1-11(2-4-12)16(18)5-7-23(8-6-16)15-13-14(20-9-19-13)21-10-22-15/h1-4,9-10H,5-8,18H2,(H,19,20,21,22)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376063
PNG
(CHEMBL406863)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 8n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376064
PNG
(CHEMBL260577)
Show SMILES NC(C1CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376068
PNG
(CHEMBL260358)
Show SMILES NCC1(CCN(CC1)c1ncnc2nc[nH]c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN6/c18-13-3-1-12(2-4-13)17(9-19)5-7-24(8-6-17)16-14-15(21-10-20-14)22-11-23-16/h1-4,10-11H,5-9,19H2,(H,20,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16232
PNG
(6-phenylpurine compound 20 | 6-{4-[4-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376069
PNG
(CHEMBL405384)
Show SMILES NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-12(2-4-14)16(20)13-6-9-24(10-7-13)18-15-5-8-21-17(15)22-11-23-18/h1-5,8,11,13,16H,6-7,9-10,20H2,(H,21,22,23)
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n/an/a 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376062
PNG
(CHEMBL260463)
Show SMILES NCC1(CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN4/c20-15-3-1-14(2-4-15)19(13-21)7-11-24(12-8-19)17-6-10-23-18-16(17)5-9-22-18/h1-6,9-10H,7-8,11-13,21H2,(H,22,23)
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n/an/a 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376058
PNG
(CHEMBL259999)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C17H19ClN6/c18-13-3-1-12(2-4-13)9-17(19)5-7-24(8-6-17)16-14-15(21-10-20-14)22-11-23-16/h1-4,10-11H,5-9,19H2,(H,20,21,22,23)
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n/an/a 25n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376065
PNG
(CHEMBL261034)
Show SMILES NC(C1CCN(CC1)c1ncnc2nc[nH]c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN6/c18-13-3-1-11(2-4-13)14(19)12-5-7-24(8-6-12)17-15-16(21-9-20-15)22-10-23-17/h1-4,9-10,12,14H,5-8,19H2,(H,20,21,22,23)
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n/an/a 71n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 120n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p70S6K by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376057
PNG
(CHEMBL259141)
Show SMILES NC1CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C11H15N5/c12-8-2-5-16(6-3-8)11-9-1-4-13-10(9)14-7-15-11/h1,4,7-8H,2-3,5-6,12H2,(H,13,14,15)
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n/an/a 180n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376066
PNG
(CHEMBL261247)
Show SMILES NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C18H21N5/c19-16(13-4-2-1-3-5-13)14-7-10-23(11-8-14)18-15-6-9-20-17(15)21-12-22-18/h1-6,9,12,14,16H,7-8,10-11,19H2,(H,20,21,22)
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n/an/a 246n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376077
PNG
(CHEMBL261260)
Show SMILES NC1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-9(13-5-12-8)14-6-15-10/h5-7H,1-4,11H2,(H,12,13,14,15)
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n/an/a 270n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376074
PNG
(CHEMBL259356)
Show SMILES NCC1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16)
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n/an/a 290n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376067
PNG
(CHEMBL260000)
Show SMILES NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
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n/an/a 450n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376063
PNG
(CHEMBL406863)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 500n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376063
PNG
(CHEMBL406863)
Show SMILES NCC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 590n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376064
PNG
(CHEMBL260577)
Show SMILES NC(C1CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23)
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n/an/a 590n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

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+
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n/an/a 590n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376069
PNG
(CHEMBL405384)
Show SMILES NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-12(2-4-14)16(20)13-6-9-24(10-7-13)18-15-5-8-21-17(15)22-11-23-18/h1-5,8,11,13,16H,6-7,9-10,20H2,(H,21,22,23)
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n/an/a 590n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376059
PNG
(CHEMBL259998)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c18-13-3-1-12(2-4-13)17(19)6-9-23(10-7-17)16-14-5-8-20-15(14)21-11-22-16/h1-5,8,11H,6-7,9-10,19H2,(H,20,21,22)
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n/an/a 600n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 660n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376071
PNG
(CHEMBL261249)
Show SMILES NCC1CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)
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n/an/a 770n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376072
PNG
(CHEMBL265451)
Show SMILES NC1CCN(CC1)c1ncnc2n[nH]cc12
Show InChI InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-5-14-15-9(8)12-6-13-10/h5-7H,1-4,11H2,(H,12,13,14,15)
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n/an/a 830n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376070
PNG
(CHEMBL264965)
Show SMILES NC1CCN(CC1)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C12H16N4/c13-9-3-7-16(8-4-9)11-2-6-15-12-10(11)1-5-14-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
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n/an/a 880n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376076
PNG
(CHEMBL265193)
Show SMILES NCC1CCN(CC1)c1ncnc2n[nH]cc12
Show InChI InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-6-15-16-10(9)13-7-14-11/h6-8H,1-5,12H2,(H,13,14,15,16)
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n/an/a 920n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376059
PNG
(CHEMBL259998)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c18-13-3-1-12(2-4-13)17(19)6-9-23(10-7-17)16-14-5-8-20-15(14)21-11-22-16/h1-5,8,11H,6-7,9-10,19H2,(H,20,21,22)
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n/an/a<1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376068
PNG
(CHEMBL260358)
Show SMILES NCC1(CCN(CC1)c1ncnc2nc[nH]c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN6/c18-13-3-1-12(2-4-13)17(9-19)5-7-24(8-6-17)16-14-15(21-10-20-14)22-11-23-16/h1-4,10-11H,5-9,19H2,(H,20,21,22,23)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376067
PNG
(CHEMBL260000)
Show SMILES NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376062
PNG
(CHEMBL260463)
Show SMILES NCC1(CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN4/c20-15-3-1-14(2-4-15)19(13-21)7-11-24(12-8-19)17-6-10-23-18-16(17)5-9-22-18/h1-6,9-10H,7-8,11-13,21H2,(H,22,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376061
PNG
(CHEMBL409503)
Show SMILES NCC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-13(2-4-14)9-18(10-20)5-7-25(8-6-18)17-15-16(22-11-21-15)23-12-24-17/h1-4,11-12H,5-10,20H2,(H,21,22,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376064
PNG
(CHEMBL260577)
Show SMILES NC(C1CCN(CC1)c1ccnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN4/c20-15-3-1-13(2-4-15)18(21)14-7-11-24(12-8-14)17-6-10-23-19-16(17)5-9-22-19/h1-6,9-10,14,18H,7-8,11-12,21H2,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16224
PNG
(6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...)
Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)
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n/an/a 6.90E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376069
PNG
(CHEMBL405384)
Show SMILES NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-12(2-4-14)16(20)13-6-9-24(10-7-13)18-15-5-8-21-17(15)22-11-23-18/h1-5,8,11,13,16H,6-7,9-10,20H2,(H,21,22,23)
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n/an/a 7.50E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM12915
PNG
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)
Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376071
PNG
(CHEMBL261249)
Show SMILES NCC1CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376057
PNG
(CHEMBL259141)
Show SMILES NC1CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C11H15N5/c12-8-2-5-16(6-3-8)11-9-1-4-13-10(9)14-7-15-11/h1,4,7-8H,2-3,5-6,12H2,(H,13,14,15)
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(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+
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376072
PNG
(CHEMBL265451)
Show SMILES NC1CCN(CC1)c1ncnc2n[nH]cc12
Show InChI InChI=1S/C10H14N6/c11-7-1-3-16(4-2-7)10-8-5-14-15-9(8)12-6-13-10/h5-7H,1-4,11H2,(H,12,13,14,15)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376076
PNG
(CHEMBL265193)
Show SMILES NCC1CCN(CC1)c1ncnc2n[nH]cc12
Show InChI InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-6-15-16-10(9)13-7-14-11/h6-8H,1-5,12H2,(H,13,14,15,16)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50376066
PNG
(CHEMBL261247)
Show SMILES NC(C1CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C18H21N5/c19-16(13-4-2-1-3-5-13)14-7-10-23(11-8-14)18-15-6-9-20-17(15)21-12-22-18/h1-6,9,12,14,16H,7-8,10-11,19H2,(H,20,21,22)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human PC3M cells by ELISA


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376075
PNG
(CHEMBL264667)
Show SMILES NC(=O)C1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H14N6O/c12-9(18)7-1-3-17(4-2-7)11-8-10(14-5-13-8)15-6-16-11/h5-7H,1-4H2,(H2,12,18)(H,13,14,15,16)
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n/an/a 4.10E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2A6


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2E1


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50237622
PNG
(4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...)
Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16223
PNG
(1H-pyrrolo[2,3-b]pyridine | 7-azaindole | compound...)
Show SMILES c1cc2cccnc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50376073
PNG
(CHEMBL265194)
Show SMILES Cc1nc2ncnc(N3CCC(N)CC3)c2[nH]1
Show InChI InChI=1S/C11H16N6/c1-7-15-9-10(16-7)13-6-14-11(9)17-4-2-8(12)3-5-17/h6,8H,2-5,12H2,1H3,(H,13,14,15,16)
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n/an/a 1.10E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKBbeta recombinant by radiometric filter binding assay


J Med Chem 51: 2147-57 (2008)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%