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PubMed code 24900229

Compile data set for download or QSAR
Found 41 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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens)
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of IKK1


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDK2


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 840n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 990n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK3


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339023
PNG
(6-(4-Pyrimidinyl)-1H-indazol-3-amine trifluoroacet...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccncn1
Show InChI InChI=1S/C11H9N5/c12-11-8-2-1-7(5-10(8)15-16-11)9-3-4-13-6-14-9/h1-6H,(H3,12,15,16)
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n/an/a 2.67E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 3.48E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SYK


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 5.69E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ASK1


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a 6.34E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p70S6K


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339024
PNG
(6-(2-Amino-4-pyridinyl)-1H-indazol-3-amine hydroch...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)c1
Show InChI InChI=1S/C12H11N5/c13-11-6-8(3-4-15-11)7-1-2-9-10(5-7)16-17-12(9)14/h1-6H,(H2,13,15)(H3,14,16,17)
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n/an/a 7.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of SGK1


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of AKT1


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CHK1


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of INS


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50339006
PNG
(6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine | 6-(...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339028
PNG
(6-(4-Pyridinyl)-1H-indazol-3-amine hydrochloride |...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C12H10N4/c13-12-10-2-1-9(7-11(10)15-16-12)8-3-5-14-6-4-8/h1-7H,(H3,13,15,16)
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n/an/a 1.32E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339025
PNG
(6-(6-Amino-2-pyridinyl)-1H-indazol-3-amine | CHEMB...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1cccc(N)n1
Show InChI InChI=1S/C12H11N5/c13-11-3-1-2-9(15-11)7-4-5-8-10(6-7)16-17-12(8)14/h1-6H,(H2,13,15)(H3,14,16,17)
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n/an/a 1.36E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339026
PNG
(6-(3-Aminophenyl)-1H-indazol-3-amine | CHEMBL16882...)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1cccc(N)c1
Show InChI InChI=1S/C13H12N4/c14-10-3-1-2-8(6-10)9-4-5-11-12(7-9)16-17-13(11)15/h1-7H,14H2,(H3,15,16,17)
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n/an/a 2.12E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339027
PNG
(6-(2-Pyridinyl)-1H-indazol-3-amine | CHEMBL1688220)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1ccccn1
Show InChI InChI=1S/C12H10N4/c13-12-9-5-4-8(7-11(9)15-16-12)10-3-1-2-6-14-10/h1-7H,(H3,13,15,16)
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n/an/a>2.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50208879
PNG
(2,6-diaminopurine | 9H-Purine-2,6-diamine0.5M H2SO...)
Show SMILES Nc1nc(N)c2[nH]cnc2n1
Show InChI InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
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n/an/a 5.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339010
PNG
(CHEMBL1688207 | N-methyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES CNc1ncnc2n[nH]cc12
Show InChI InChI=1S/C6H7N5/c1-7-5-4-2-10-11-6(4)9-3-8-5/h2-3H,1H3,(H2,7,8,9,10,11)
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n/an/a 9.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339011
PNG
(2-phenylthiazole | CHEMBL1688208)
Show SMILES c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
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n/an/a 9.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339017
PNG
(1H-indole-7-carboxamide | CHEMBL1688213)
Show SMILES NC(=O)c1cccc2cc[nH]c12
Show InChI InChI=1S/C9H8N2O/c10-9(12)7-3-1-2-6-4-5-11-8(6)7/h1-5,11H,(H2,10,12)
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n/an/a 9.75E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339012
PNG
(7-chlorothieno[3,2-b]pyridin-5(4H)-one | CHEMBL168...)
Show SMILES Clc1cc(=O)[nH]c2ccsc12
Show InChI InChI=1S/C7H4ClNOS/c8-4-3-6(10)9-5-1-2-11-7(4)5/h1-3H,(H,9,10)
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n/an/a 1.02E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339014
PNG
(3,5-diamino-1,2,4-triazine-6-carboxamide | CHEMBL1...)
Show SMILES NC(=O)c1nnc(N)nc1N
Show InChI InChI=1S/C4H6N6O/c5-2-1(3(6)11)9-10-4(7)8-2/h(H2,6,11)(H4,5,7,8,10)
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n/an/a 1.45E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339015
PNG
(CHEMBL1688211 | benzo[e][1,2,4]triazin-3-amine)
Show SMILES Nc1nnc2ccccc2n1
Show InChI InChI=1S/C7H6N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,8,9,11)
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n/an/a 1.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339016
PNG
(3,4-dihydroisoquinolin-1(2H)-one | CHEMBL1688212)
Show SMILES O=C1NCCc2ccccc12
Show InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 1.69E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339008
PNG
(4-amino-1H-pyrazole-3-carboxamide | CHEMBL1688205)
Show SMILES NC(=O)c1[nH]ncc1N
Show InChI InChI=1S/C4H6N4O/c5-2-1-7-8-3(2)4(6)9/h1H,5H2,(H2,6,9)(H,7,8)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339009
PNG
(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine ...)
Show SMILES C1CCn2cnnc2C1
Show InChI InChI=1S/C6H9N3/c1-2-4-9-5-7-8-6(9)3-1/h5H,1-4H2
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n/an/a 2.44E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339018
PNG
(2-Aminobenzothiazol-4-ol | 2-aminobenzo[d]thiazol-...)
Show SMILES Nc1nc2c(O)cccc2s1
Show InChI InChI=1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9)
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n/an/a 2.56E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339013
PNG
(1H-indazol-3-amine | CHEMBL1331627)
Show SMILES Nc1[nH]nc2ccccc12
Show InChI InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
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n/an/a 3.11E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339019
PNG
(5-(furan-2-yl)-1H-pyrazol-3-amine | CHEMBL1688214)
Show SMILES Nc1cc(n[nH]1)-c1ccco1
Show InChI InChI=1S/C7H7N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,(H3,8,9,10)
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n/an/a 3.13E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339020
PNG
(4-(1H-Pyrazol-3-yl)-pyridine | 4-(1H-pyrazol-3-yl)...)
Show SMILES c1cc(n[nH]1)-c1ccncc1
Show InChI InChI=1S/C8H7N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6H,(H,10,11)
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n/an/a 3.26E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339021
PNG
(6-methoxy-9H-purine | CHEMBL305107)
Show SMILES COc1ncnc2nc[nH]c12
Show InChI InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
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n/an/a 3.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50339007
PNG
(3-(hydroxymethyl)-1H-pyrazol-5-ol | CHEMBL1688204)
Show SMILES OCc1cc(=O)[nH][nH]1
Show InChI InChI=1S/C4H6N2O2/c7-2-3-1-4(8)6-5-3/h1,7H,2H2,(H2,5,6,8)
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n/an/a 3.44E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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n/an/a 3.45E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50091818
PNG
(CHEMBL61743 | Isoquinolin-3-ylamine | uPa_46)
Show SMILES Nc1cc2ccccc2cn1
Show InChI InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
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n/an/a 3.76E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximi...


ACS Med Chem Lett 1: 439-442 (2010)


Article DOI: 10.1021/ml100136n
BindingDB Entry DOI: 10.7270/Q22807WJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%