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BDBM50425863 CHEMBL2312652

SMILES: CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O

InChI Key: InChIKey=PIKLKDCPFVVYDK-QZTJIDSGSA-N

Data: 32 IC50

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 32 hits for monomerid = 50425863   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NEK2 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
myosin light chain kinase 2


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 2.49E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MYLK2 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MST2 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST4


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MASK (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MARK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAPKAP-K2 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAPK1/ERK2 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 1.34E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAP3K9 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.68E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKKi (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ECK (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1-delta (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CAMK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of P-selectin aggregation in platelet surface (unknown origin)


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair