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BDBM50015248 CHEMBL3262777

SMILES: CCc1cc2c(CCCC2=O)n1Cc1ccccc1

InChI Key: InChIKey=WAZKIRPFJTZRDA-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015248   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50015248
PNG
(CHEMBL3262777)
Show SMILES CCc1cc2c(CCCC2=O)n1Cc1ccccc1
Show InChI InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3
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KEGG

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Displacement of histone peptide from His-tagged BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) by alpha-screen assay


Bioorg Med Chem Lett 24: 2493-6 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)