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BDBM50151243 CHEMBL3771129

SMILES: COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)-c1cccc(c1)C#N

InChI Key: InChIKey=NCPYGYYERXQFSF-ANBDAQEENA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50151243   
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))
BDBM50151243
PNG
(CHEMBL3771129)
Show SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1/C27H23N5O2S/c1-15-16(2)35-27-24(15)25(29-22(13-23(33)34-4)26-31-30-17(3)32(26)27)20-10-8-19(9-11-20)21-7-5-6-18(12-21)14-28/h5-12,22H,13H2,1-4H3/t22-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Flag-tagged BRD4 (unknown origin)-biotinylated AcH4 (Lys5, 8, 12, 16) histone peptide binding expressed in CHO cells after 60 mins by T...


Bioorg Med Chem Lett 26: 1365-70 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.084
BindingDB Entry DOI: 10.7270/Q2BZ67XN
More data for this
Ligand-Target Pair