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BDBM50186375 CHEMBL210540::N-(5-(2-(cyclohexyloxy)-6-methylpyrimidin-4-yl)thiazol-2-yl)-5-((4-methylpiperazin-1-yl)methyl)pyrazin-2-amine

SMILES: CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1

InChI Key: InChIKey=DLIDUXYWQPLFEM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50186375   
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 7


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 530n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK7


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 7.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK6


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 9.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK9


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK5


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50186375
PNG
(CHEMBL210540 | N-(5-(2-(cyclohexyloxy)-6-methylpyr...)
Show SMILES CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
Show InChI InChI=1S/C24H32N8OS/c1-17-12-20(29-23(28-17)33-19-6-4-3-5-7-19)21-14-27-24(34-21)30-22-15-25-18(13-26-22)16-32-10-8-31(2)9-11-32/h12-15,19H,3-11,16H2,1-2H3,(H,26,27,30)
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n/an/a 600n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 16: 3751-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.048
BindingDB Entry DOI: 10.7270/Q2N29WK0
More data for this
Ligand-Target Pair