BindingDB logo
myBDB logout

BDBM50539794 CHEMBL4647786

SMILES: Cc1cccc(C)c1Cn1ccc2c(NS(C)(=O)=O)cc(cc12)-c1cn(C)c2c1cc[nH]c2=O

InChI Key: InChIKey=NLYJWARCUOIKRE-UHFFFAOYSA-N

Data: 1 IC50

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 = 50539794   
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))
BDBM50539794
PNG
(CHEMBL4647786)
Show SMILES Cc1cccc(C)c1Cn1ccc2c(NS(C)(=O)=O)cc(cc12)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C26H26N4O3S/c1-16-6-5-7-17(2)21(16)15-30-11-9-20-23(28-34(4,32)33)12-18(13-24(20)30)22-14-29(3)25-19(22)8-10-27-26(25)31/h5-14,28H,15H2,1-4H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 175n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...


J Med Chem 63: 7186-7210 (2020)

More data for this
Ligand-Target Pair