BindingDB logo
myBDB logout

BDBM50155952 CHEMBL3780462

SMILES: CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC1(CCCC1)C(O)=O

InChI Key: InChIKey=QRVNUWSLHXSXMK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155952   
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))
BDBM50155952
PNG
(CHEMBL3780462)
Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCC1(CCCC1)C(O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-2-22-15-8-9-16(13-6-5-7-14(17(13)15)18(22)23)28(26,27)21-12-20(19(24)25)10-3-4-11-20/h5-9,21H,2-4,10-12H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.58E+3n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...


J Med Chem 59: 1565-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01511
BindingDB Entry DOI: 10.7270/Q2N87CPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)