BDBM50402023 BI 6727::VOLASERTIB

SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O

InChI Key InChIKey=SXNJFOWDRLKDSF-STROYTFGSA-N

Data  6 IC50  8 Kd

PDB links: 6 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50402023   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50:  1.07E+3nMAssay Description:Displacement of biotin-PEG2- SGRGKacGGKacGLGKacGGAKacRHPvK-COOH from BRD4 (unknown origin) after 1.5 hrs by acetyl-histone binding based Alphascreen ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  255nMAssay Description:Binding affinity to BRD4 (unknown origin) by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50:  0.870nMAssay Description:Inhibition of NH2-terminal GST-tagged recombinant human Plk1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50:  0.870nMAssay Description:Competitive inhibition of human PLK1 in presence of ATPMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  79nMAssay Description:Binding affinity to recombinant human His6-TEV protease-tagged BRD4 bromodomain 1 expressed in bacteria by isothermal titration calorimetric methodMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50:  0.870nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human PLK1 (1 to 603 residues) expressed in baculovirus expression system using bovine milk casein as...More data for this Ligand-Target Pair
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by ITC analysisMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of human PLK1 using casein as substrate in presence of [gamma-33P]ATP by radiometric assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  169nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by MST assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  77nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by qPCR assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Dart Neuroscience

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  317nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by ITC analysisMore data for this Ligand-Target Pair
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  1.03E+3nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by MST assayMore data for this Ligand-Target Pair
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  113nMAssay Description:Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by qPCR assayMore data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase PLK1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50:  0.870nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate i...More data for this Ligand-Target Pair