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BDBM50425865 CHEMBL2312646

SMILES: CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1

InChI Key: InChIKey=PRAFFLMXUBGHGX-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 50425865   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.36E+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
Insulin receptor


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.86E+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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.25E+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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 2.39E+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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 2.57E+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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.86E+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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 3.17E+3n/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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1.20E+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))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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PC sid
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Article
PubMed
n/an/a 270n/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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50425865
PNG
(CHEMBL2312646)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
Show InChI InChI=1S/C23H30Cl2N6O/c1-31-10-8-18(9-11-31)29-22(32)19-14-27-23(30-21(19)28-17-4-2-3-5-17)26-13-15-12-16(24)6-7-20(15)25/h6-7,12,14,17-18H,2-5,8-11,13H2,1H3,(H,29,32)(H2,26,27,28,30)
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UniProtKB/SwissProt
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B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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