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(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1

InChI Key InChIKey=QAPAJIZPZGWAND-UHFFFAOYSA-N

Data  5 IC50  9 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50337134   

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

LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Affinity DataIC50:  240nMAssay Description:Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysisMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Affinity DataKd:  1.60E+3nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 7(Homo sapiens (Human))
Harvard Medical School

LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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 DepthDetails ArticlePubMed
TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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 DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Newcastle University

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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 DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase DCLK1(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50337134(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
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 DepthDetails ArticlePubMed