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BDBM50339006 6-(2-Amino-4-pyrimidinyl)-1H-indazol-3-amine::6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine::CHEMBL1688215

SMILES: Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1

InChI Key: InChIKey=QVWIVWPIJUYRRF-UHFFFAOYSA-N

Data: 22 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50339006   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

Assay Description
Inhibition of p70S6K


Citation and Details
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

Assay Description
Inhibition of INS


Citation and Details
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

Assay Description
Inhibition of IGF1R


Citation and Details
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

Assay Description
Inhibition of JNK1


Citation and Details
More data for this
Ligand-Target Pair
PI3-kinase class I


(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

Assay Description
Inhibition of PI3Kalpha


Citation and Details
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

Assay Description
Inhibition of SGK1


Citation and Details
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

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


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


(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

Assay Description
Inhibition of CDK2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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

Assay Description
Inhibition of Aurora A


Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor 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 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR2


Citation and Details
More data for this
Ligand-Target Pair
JAK3/JAK1


(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

Assay Description
Inhibition of JAK3


Citation and Details
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

Assay Description
Inhibition of SYK


Citation and Details
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

Assay Description
Inhibition of ASK1


Citation and Details
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(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 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK5


J Med Chem 54: 1871-95 (2011)

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 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA


J Med Chem 54: 1871-95 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Aurora


(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 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of aurora A


J Med Chem 54: 1871-95 (2011)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of aurora B


J Med Chem 54: 1871-95 (2011)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(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 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 54: 1871-95 (2011)

More data for this
Ligand-Target Pair
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

Assay Description
Inhibition of IKK1


Citation and Details
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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

Assay Description
Inhibition of Aurora B


Citation and Details
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

Assay Description
Inhibition of CHK1


Citation and Details
More data for this
Ligand-Target Pair
AKT/p21CIP1


(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

Assay Description
Inhibition of AKT1


Citation and Details
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Ligand-Target Pair