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BDBM50148334 CHEMBL3770214

SMILES: COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O

InChI Key: InChIKey=XEDBHRINPFDNQZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50148334   
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 adjacent to zinc finger domain protein 2A


(Homo sapiens (Human))
BDBM50148334
PNG
(CHEMBL3770214)
Show SMILES COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C18H17NO4S/c1-12(20)16-11-15(17-10-13(23-2)8-9-19(16)17)14-6-4-5-7-18(14)24(3,21)22/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 580n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-TEV fused human BAZ2A expressed in Escherichia coli incubated for 30 mins in presence of biotinylated peptide by alpha...


J Med Chem 59: 1410-24 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148334
PNG
(CHEMBL3770214)
Show SMILES COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C18H17NO4S/c1-12(20)16-11-15(17-10-13(23-2)8-9-19(16)17)14-6-4-5-7-18(14)24(3,21)22/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148334
PNG
(CHEMBL3770214)
Show SMILES COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C18H17NO4S/c1-12(20)16-11-15(17-10-13(23-2)8-9-19(16)17)14-6-4-5-7-18(14)24(3,21)22/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay


J Med Chem 59: 1410-24 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50148334
PNG
(CHEMBL3770214)
Show SMILES COc1ccn2c(cc(-c3ccccc3S(C)(=O)=O)c2c1)C(C)=O
Show InChI InChI=1S/C18H17NO4S/c1-12(20)16-11-15(17-10-13(23-2)8-9-19(16)17)14-6-4-5-7-18(14)24(3,21)22/h4-11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 820n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-TEV fused human BAZ2B expressed in Escherichia coli incubated for 30 mins in presence of biotinylated peptide by alpha...


J Med Chem 59: 1410-24 (2016)


BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair