BDBM50365463 CHEMBL1232461

SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12

InChI Key InChIKey=AAAQFGUYHFJNHI-SFHVURJKSA-N

Data  20 KI  47 IC50  30 Kd  1 EC50

PDB links: 4 PDB IDs match 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 3 hits for monomerid = 50365463   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50365463(CHEMBL1232461)
Affinity DataKi:  40nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50365463(CHEMBL1232461)
Affinity DataKi:  50nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50365463(CHEMBL1232461)
Affinity DataKi:  50nMAssay Description:Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluores...More data for this Ligand-Target Pair