BDBM50468499 CHEMBL4291774

SMILES Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C

InChI Key InChIKey=CNBKQIUIQRBCJT-UHFFFAOYSA-N

Data  2 IC50  4 Kd

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 6 hits for monomerid = 50468499   

TargetBromodomain-containing protein 4(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468499(CHEMBL4291774)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human GST-tagged BRD4 BD1 (44 to 170 residues) expressed in Escherichia coli BL21 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetPeregrin(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468499(CHEMBL4291774)
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468499(CHEMBL4291774)
Affinity DataKd: >5.00E+4nMAssay Description:Binding affinity to human partial length BRD4 BD1 (N44 to E168 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetTranscription intermediary factor 1-alpha(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468499(CHEMBL4291774)
Affinity DataKd: >5.00E+4nMAssay Description:Binding affinity to human partial length TRIM24-phd-bromo (P790 to P977 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetPeregrin(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468499(CHEMBL4291774)
Affinity DataIC50: 3.06E+4nMAssay Description:Inhibition of recombinant human His-tagged BRPF1 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeregrin(Human)
University of Zurich

Curated by ChEMBL
LigandPNGBDBM50468499(CHEMBL4291774)
Affinity DataKd:  1.09E+4nMAssay Description:Binding affinity to N-terminal GST-tagged BRPF1 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)