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BDBM50364106 CHEMBL1950957

SMILES: CN1Cc2cc(ccc2N(C)C1=O)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=LFBDSGLXLXJATE-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50364106   
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 2


(Homo sapiens (Human))
BDBM50364106
PNG
(CHEMBL1950957)
Show SMILES CN1Cc2cc(ccc2N(C)C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of His-6 tagged BRD2 expressed in Escherichia coli after 60 mins by fluorescence anisotropic analysis


J Med Chem 55: 576-86 (2012)


Article DOI: 10.1021/jm201320w
BindingDB Entry DOI: 10.7270/Q2F47PM1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50364106
PNG
(CHEMBL1950957)
Show SMILES CN1Cc2cc(ccc2N(C)C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of His-6 tagged BRD4 expressed in Escherichia coli after 60 mins by fluorescence anisotropic analysis


J Med Chem 55: 576-86 (2012)


Article DOI: 10.1021/jm201320w
BindingDB Entry DOI: 10.7270/Q2F47PM1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50364106
PNG
(CHEMBL1950957)
Show SMILES CN1Cc2cc(ccc2N(C)C1=O)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of His-6 tagged BRD3 expressed in Escherichia coli after 60 mins by fluorescence anisotropic analysis


J Med Chem 55: 576-86 (2012)


Article DOI: 10.1021/jm201320w
BindingDB Entry DOI: 10.7270/Q2F47PM1
More data for this
Ligand-Target Pair