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BDBM50439464 CHEMBL2420909

SMILES: C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1

InChI Key: InChIKey=SLPPJSSITOXUMX-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50439464   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 1.26E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ABL (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 6.30E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1 (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 5.30E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MSK1 (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 1.40E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 1.80E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) by Z'-Lyte assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 2.38E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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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 CHK2 (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 4.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PKD2 (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 2.26E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PRAK (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of AURA (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50439464
PNG
(CHEMBL2420909)
Show SMILES C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
Show InChI InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
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n/an/a 4.70E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by microfluidic mobility shift assay

Bioorg Med Chem 21: 5707-24 (2013)


Article DOI: 10.1016/j.bmc.2013.07.021
BindingDB Entry DOI: 10.7270/Q2MW2JK5
More data for this
Ligand-Target Pair