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BDBM50237288 CHEMBL4073198

SMILES: COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1

InChI Key: InChIKey=NWXGFDVFXJMUDD-UHFFFAOYSA-N

Data: 12 IC50  1 EC50

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 13 hits for monomerid = 50237288   
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 2


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/an/an/a 60n/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 60n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Thrombin


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Ephrin type-A receptor 3 (EPHA3)


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged EPHA3 cytoplasmic domain (569 to 976 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged ERBB4 cytoplasmic domain (708 to 993 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 5.37E+3n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 7.59E+3n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MER cytoplasmic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 794n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of PRKAA1 (unknown origin)


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 617n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged RET cytoplasmic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged RON cytoplasmic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
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n/an/a 457n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged GSK3B expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair