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BDBM50028144 CHEMBL3354001

SMILES: C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N

InChI Key: InChIKey=OUZWCWPWAOUTBA-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 = 50028144   
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))
BDBM50028144
PNG
(CHEMBL3354001)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22FN3O/c1-16-12-24(28-22-5-3-4-21(26)14-22)23-13-20(10-11-25(23)29(16)17(2)30)19-8-6-18(15-27)7-9-19/h3-11,13-14,16,24,28H,12H2,1-2H3/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 1.26E+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))
BDBM50028144
PNG
(CHEMBL3354001)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22FN3O/c1-16-12-24(28-22-5-3-4-21(26)14-22)23-13-20(10-11-25(23)29(16)17(2)30)19-8-6-18(15-27)7-9-19/h3-11,13-14,16,24,28H,12H2,1-2H3/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 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 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))
BDBM50028144
PNG
(CHEMBL3354001)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(F)c2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H22FN3O/c1-16-12-24(28-22-5-3-4-21(26)14-22)23-13-20(10-11-25(23)29(16)17(2)30)19-8-6-18(15-27)7-9-19/h3-11,13-14,16,24,28H,12H2,1-2H3/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 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 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