BDBM81552 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1::Scaffold, B54

SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc12

InChI Key InChIKey=DFQAJLQXPSPNJE-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 81552   

TargetAurora kinase A(Human)
Harvard Medical School

LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 8nMAssay Description:In vitro biochemical assays were performed in parallel to determine the most potent tool compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2011
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Harvard Medical School

LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 24nMAssay Description:In vitro biochemical assays were performed in parallel to determine the most potent tool compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2011
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Harvard Medical School

LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 41nMAssay Description:In vitro biochemical assays were performed in parallel to determine the most potent tool compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2011
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Harvard Medical School

LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 5.60nMAssay Description:In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2012
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Harvard Medical School

LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 18.4nMAssay Description:In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2012
Entry Details Article
PubMed
TargetAurora kinase C(Human)
Harvard Medical School

LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 24.6nMAssay Description:In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase DCLK1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 109nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM81552(Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...)
Affinity DataIC50: 30nMAssay Description:Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed