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BDBM50159134 CHEMBL3786700

SMILES: CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c(O)cc1C

InChI Key: InChIKey=CGYOKHBJOYVFIV-UHFFFAOYSA-N

Data: 1 Kd

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 = 50159134   
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))
BDBM50159134
PNG
(CHEMBL3786700)
Show SMILES CCN(CC)S(=O)(=O)c1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c(O)cc1C
Show InChI InChI=1S/C21H29N3O5S/c1-7-15-19(14(6)25)13(5)22-20(15)21(27)23-16-11-18(12(4)10-17(16)26)30(28,29)24(8-2)9-3/h10-11,22,26H,7-9H2,1-6H3,(H,23,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 880n/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Binding affinity to partial length human BRD4 bromodomain 1 by isothermal titration calorimetry


J Med Chem 59: 1518-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01267
BindingDB Entry DOI: 10.7270/Q27H1MHH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)