BDBM50337134 2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one::CHEMBL1673046::Scaffold, B46::US9266890, IV-6

SMILES CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

InChI Key InChIKey=QAPAJIZPZGWAND-UHFFFAOYSA-N

Data  7 IC50  9 Kd

PDB links: 3 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 16 hits for monomerid = 50337134   

TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  80nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  80nMAssay Description:In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 240nMAssay Description:Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 300nMAssay Description:Inhibition of ERK5 in human HeLa cells incubated for 15 mins prior to ATP addition by KiNativ profiling methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  1.60E+3nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 200nMAssay Description:Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase DCLK1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 716nMAssay 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
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 46nMAssay 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
TargetBromodomain-containing protein 4(Human)
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  800nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  205nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  735nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  3.50E+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 testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  675nMAssay 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
LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataKd:  4.20E+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
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 240nMAssay Description:Inhibition of ERK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase 7(Human)
Harvard Medical School

LigandPNGBDBM50337134(US9266890, IV-6 | Scaffold, B46 | CHEMBL1673046 | ...)
Affinity DataIC50: 52nMAssay Description:Inhibition of ERK5 (unknown origin) by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)