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BDBM50028143 CHEMBL3354000

SMILES: COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O

InChI Key: InChIKey=LOCYBPVGKQMTII-UPCLLVRISA-N

Data: 3 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 3 hits for monomerid = 50028143   
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))
BDBM50028143
PNG
(CHEMBL3354000)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1S/C26H25FN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD2 (1 to 473 aa) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028143
PNG
(CHEMBL3354000)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1S/C26H25FN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028143
PNG
(CHEMBL3354000)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cc3)c2c1)C(C)=O |r|
Show InChI InChI=1S/C26H25FN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair