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-UHFFFAOYSA-N

Data  12 IC50  8 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50402023   

TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

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
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical 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 casein as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50: 120nMAssay Description:Inhibition of BRD4 (unknown origin) using BET peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50: 0.820nMAssay Description:Inhibition of PLK1 (unknown origin) preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo kinase assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetWee1-like protein kinase(Human)
Emd Serono

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of WEE1 in human U2OS cells incubated for 1 hr by mesoscale discovery assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetWee1-like protein kinase(Human)
Emd Serono

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of human full length GST-tagged WEE1 expressed in insect cells incubated for 15 mins followed by ATP addition by ADP Glo luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human N-terminal His6-tagged recombinant full-length PLK1 expressed in baculovirus infected Sf9 cells incubated for 15 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetBromodomain testis-specific protein(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
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetBromodomain testis-specific protein(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
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetBromodomain testis-specific protein(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
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

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
In Depth
Date in BDB:
7/11/2017
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

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
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

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
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical 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
In Depth
Date in BDB:
3/30/2022
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical 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
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical 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
In Depth
Date in BDB:
9/7/2018
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

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
In Depth
Date in BDB:
9/7/2018
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical 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
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical 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
In Depth
Date in BDB:
7/3/2018
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

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
In Depth
Date in BDB:
7/11/2017
Entry Details Article
PubMed