BDBM50533121 CHEMBL4542474

SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)cc(N[C@@H](C3CC3)C(C)(C)O)nc12

InChI Key InChIKey=ZJIBAKNCYNMQRX-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50533121   

TargetDual specificity protein kinase TTK(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50533121(CHEMBL4542474)
Affinity DataIC50: 7nMAssay Description:Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50533121(CHEMBL4542474)
Affinity DataIC50: 7nMAssay Description:Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50533121(CHEMBL4542474)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of BFC as substrate measured after 10 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50533121(CHEMBL4542474)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of BFC as substrate measured after 10 mins in presence of NADP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed