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BDBM50159126 CHEMBL3786456

SMILES: CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1

InChI Key: InChIKey=MKVQSNKXUKWRMD-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 = 50159126   
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))
BDBM50159126
PNG
(CHEMBL3786456)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1
Show InChI InChI=1S/C20H27N3O4S/c1-6-17-18(14(5)24)13(4)21-19(17)20(25)22-15-10-9-11-16(12-15)28(26,27)23(7-2)8-3/h9-12,21H,6-8H2,1-5H3,(H,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 5.70E+3n/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)