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BDBM50501604 CHEMBL4084985

SMILES: CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1

InChI Key: InChIKey=OHNWSWSUMDWFSA-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 = 50501604   
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))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(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))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(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))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)
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476n/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 9 (CDK9)


(Homo sapiens (Human))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(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))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)
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>5.00E+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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50501604
PNG
(CHEMBL4084985)
Show SMILES CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
Show InChI InChI=1S/C24H32N8S/c1-17-22(33-24(27-17)31(3)18-6-4-5-7-18)20-10-11-25-23(28-20)29-21-9-8-19(16-26-21)32-14-12-30(2)13-15-32/h8-11,16,18H,4-7,12-15H2,1-3H3,(H,25,26,28,29)
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UniChem
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>5.00E+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