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BDBM50501605 CHEMBL4102935

SMILES: CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

InChI Key: InChIKey=VSTBDMYJXAWENH-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50501605   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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2n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair
CDK6/CycD3


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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10n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK6/cyclin D3 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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174n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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1.39E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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1.80E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50501605
PNG
(CHEMBL4102935)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C23H30N8S/c1-16-21(32-23(27-16)30(2)17-5-3-4-6-17)19-9-10-25-22(28-19)29-20-8-7-18(15-26-20)31-13-11-24-12-14-31/h7-10,15,17,24H,3-6,11-14H2,1-2H3,(H,25,26,28,29)
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3.20E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay


J Med Chem 60: 1892-1915 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01670
BindingDB Entry DOI: 10.7270/Q29Z97XG
More data for this
Ligand-Target Pair