BDBM50503406 CHEMBL4463538

SMILES Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12

InChI Key InChIKey=XJRUWGFZGQNPPD-UHFFFAOYSA-N

Data  7 IC50  6 Kd  1 EC50

PDB links: 2 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 = 50503406   

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50:  10nMAssay Description:Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBromodomain-containing protein 4(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBromodomain-containing protein 4(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetChromatin remodeling regulator CECR2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBromodomain-containing protein 4(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataKd:  8.90E+3nMAssay Description:Binding affinity to recombinant human full length DNA-tagged BRD4 short isoform expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataEC50:  920nMAssay Description:Binding affinity to TAF1 in HEK293T cells assessed as increase in TAF1 level by ITDR analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataKd:  1nMAssay Description:Binding affinity to recombinant human full length DNA-tagged TAF11D bromodomain 2 (1523 to 1654 residues) expressed in bacterial expression system by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBromodomain-containing protein 9(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50:  9.50E+3nMAssay Description:Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataIC50:  38nMAssay Description:Inhibition of fluorescent-tagged ligand from nanoLuc fused N-terminal TAF1 bromodomain 2 (unknown origin) expressed in 293T cells by luciferase repor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataKd:  5nMAssay Description:Binding affinity to recombinant human full length DNA-tagged TAF1L bromodomain 2 (1523 to 1654 residues) expressed in bacterial expression system by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetChromatin remodeling regulator CECR2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to recombinant human DNA-tagged CECR2 (423 to 543 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataKd:  39nMAssay Description:Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBromodomain-containing protein 9(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50503406(CHEMBL4463538)
Affinity DataKd:  3.40E+3nMAssay Description:Binding affinity to recombinant human DNA-tagged BRD9 (130 to 259 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed