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BDBM50094894 CHEMBL3589485

SMILES: O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1ccccc1

InChI Key: InChIKey=LRMDXTVKVHKWEK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50094894   
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))
BDBM50094894
PNG
(CHEMBL3589485)
Show SMILES O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50094894
PNG
(CHEMBL3589485)
Show SMILES O=C(N1CC(=O)Nc2ccccc12)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...


Bioorg Med Chem Lett 25: 2818-23 (2015)

More data for this
Ligand-Target Pair