BDBM50260093 CHEMBL4078100

SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1

InChI Key InChIKey=RSMYFSPOTCDHHJ-UHFFFAOYSA-N

Data  17 KI  10 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 27 hits for monomerid = 50260093   

TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 25nMAssay Description:Inhibition of BRD4 in human MCF7 cells assessed as down regulation of ERalpha after 18 to 24 hrs by Hoechst staining based cellomics arrayscan analys...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of BRD4 (unknown origin) BD1 domain incubated for 18 hrsMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 5nMAssay Description:Inhibition of full length BRD4 (unknown origin) incubated for 18 hrsMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 5nMAssay Description:Inhibition of BRD4 BD2 (unknown origin) by chromatin/BRD4 displacement assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 5nMAssay Description:Inhibition of BRD4 BD1 (unknown origin) by chromatin/BRD4 displacement assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 5nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 1.60E+3nMAssay Description:Displacement of Halo-tagged histone H3.3 from N-terminal NanoLuc-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) expressed in HCT116 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 13nMAssay Description:Inhibition of BRD4 in human MM1S cells assessed as down regulation of c-Myc incubated for 16 hrs by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 5nMAssay Description:Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length BRD4 (unknown origin) expressed in HCT116 cells after 18 hrs by NanoBRET ass...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50: 20nMAssay Description:Inhibition of BRD4 in human LNCAP cells assessed as down regulation of nuclear AR level by immunofluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  5nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  5nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  50nMAssay Description:Inhibition of human BRD4 bromodomain 1 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 3(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  63nMAssay Description:Inhibition of human BRD3 bromodomain 1 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBromodomain-containing protein 2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  100nMAssay Description:Inhibition of human BRD2 bromodomain 1 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBromodomain testis-specific protein(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  100nMAssay Description:Inhibition of human BRDT bromodomain 1 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  126nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  126nMAssay Description:Inhibition of human BRD4 bromodomain 2 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  158nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  251nMAssay Description:Inhibition of human BRD2 bromodomain 2 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBromodomain-containing protein 3(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  398nMAssay Description:Inhibition of human BRD3 bromodomain 2 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBromodomain testis-specific protein(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  501nMAssay Description:Inhibition of human BRDT bromodomain 2 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  1.26E+3nMAssay Description:Inhibition of human TAF1 bromodomain 2 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBromodomain-containing protein 9(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  2.51E+3nMAssay Description:Inhibition of human BRD9 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  2.51E+3nMAssay Description:Inhibition of human TAF1L bromodomain 2 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCREB-binding protein(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi:  6.31E+3nMAssay Description:Inhibition of human CREBBP expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone acetyltransferase p300(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human EP300 expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed