BDBM50434070 CHEMBL2381340

SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1

InChI Key InChIKey=XVBGRTMNFNMINE-UHFFFAOYSA-N

Data  3 IC50  6 Kd  1 EC50

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 10 hits for monomerid = 50434070   

TargetMitogen-activated protein kinase 7(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataEC50:  4.20E+3nMAssay Description:Inhibition of GST-tagged full length human ERK5 transfected in HEK293 cells assessed as inhibition of AP1 transcriptional activity after 24 hrs by du...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSerine/threonine-protein kinase DCLK1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataIC50:  22nMAssay 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

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataIC50:  171nMAssay 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(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataKd:  205nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMitogen-activated protein kinase 7(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataIC50:  13nMAssay Description:Inhibition of ERK5 (unknown origin) by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataKd:  213nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataKd:  1.60E+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 ArticlePubMedPDB3D3D Structure (crystal)

TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataKd:  500nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetBromodomain testis-specific protein(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataKd:  2.10E+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 ArticlePubMedPDB3D3D Structure (crystal)

TargetBromodomain-containing protein 4(Human)
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM50434070(CHEMBL2381340)
Affinity DataKd:  69nMAssay 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)