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BDBM50148289 CHEMBL3770199

SMILES: CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12

InChI Key: InChIKey=YNASUOAGWKASOK-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 = 50148289   
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))
BDBM50148289
PNG
(CHEMBL3770199)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12
Show InChI InChI=1S/C23H26N2O5S/c1-15(26)19-13-18(17-8-6-7-9-21(17)31(5,28)29)20-12-16(10-11-25(19)20)14-24-22(27)30-23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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)


Article DOI: 10.1021/acs.jmedchem.5b00209
BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50148289
PNG
(CHEMBL3770199)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12
Show InChI InChI=1S/C23H26N2O5S/c1-15(26)19-13-18(17-8-6-7-9-21(17)31(5,28)29)20-12-16(10-11-25(19)20)14-24-22(27)30-23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/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)


Article DOI: 10.1021/acs.jmedchem.5b00209
BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148289
PNG
(CHEMBL3770199)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12
Show InChI InChI=1S/C23H26N2O5S/c1-15(26)19-13-18(17-8-6-7-9-21(17)31(5,28)29)20-12-16(10-11-25(19)20)14-24-22(27)30-23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1021/acs.jmedchem.5b00209
BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B


(Homo sapiens (Human))
BDBM50148289
PNG
(CHEMBL3770199)
Show SMILES CC(=O)c1cc(-c2ccccc2S(C)(=O)=O)c2cc(CNC(=O)OC(C)(C)C)ccn12
Show InChI InChI=1S/C23H26N2O5S/c1-15(26)19-13-18(17-8-6-7-9-21(17)31(5,28)29)20-12-16(10-11-25(19)20)14-24-22(27)30-23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/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)


Article DOI: 10.1021/acs.jmedchem.5b00209
BindingDB Entry DOI: 10.7270/Q2PK0J09
More data for this
Ligand-Target Pair