BDBM50260093 CHEMBL4078100

SMILES COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1

InChI Key InChIKey=RSMYFSPOTCDHHJ-GOSISDBHSA-N

Data  17 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50260093   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50:  1.60E+3nMAssay Description:Displacement of Halo-tagged histone H3.3 from N-terminal NanoLuc-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) expressed in HCT116 ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM50260093(CHEMBL4078100)
Affinity DataIC50:  5nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) using biotinylated histone peptide ...More data for this Ligand-Target Pair