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  9 IC50  8 Kd

PDB links: 6 PDB IDs match this monomer.

  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 3 hits for monomerid = 50402023   

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
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