BDBM50506350 Simurosertib::Tak 931::Tak-931

SMILES Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CC2CCN1CC2

InChI Key InChIKey=XGVXKJKTISMIOW-ZDUSSCGKSA-N

Data  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50506350   

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataIC50:  6.30E+3nMAssay Description:Inhibition of N-terminal GST-tagged full-length human CDK2 (1 to 298 residues)/Cyclin E (1 to 410 residues) expressed in baculovirus expression syste...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division cycle 7-related protein kinase(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataKd:  0.424nMAssay Description:Binding affinity to CDC7 (unknown origin) assessed as equilibrium dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division cycle 7-related protein kinase/Protein DBF4 homolog A(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataIC50:  0.260nMAssay Description:Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division cycle 7-related protein kinase/Protein DBF4 homolog A(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataIC50:  0.540nMAssay Description:Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division cycle 7-related protein kinase(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataIC50:  17nMAssay Description:Inhibition of CDC7 in human HeLa cells assessed as inhibition of MCM2 phosphorylation at Ser40 residue in human HeLa cells after 7 hrs by Western blo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCell division cycle 7-related protein kinase/Protein DBF4 homolog A(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataIC50:  43nMAssay Description:Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50506350(Simurosertib | Tak 931 | Tak-931)
Affinity DataIC50:  430nMAssay Description:Inhibition of N-terminal GST-tagged human ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using biotin-STK-subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed