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BDBM50515776 CHEMBL4592163

SMILES: Cc1nnc2CCC(Nc3ccc4ccccc4c3)c3cc(ccc3-n12)-c1cnn(C)c1

InChI Key: InChIKey=ZVYQOCJLZYXAKO-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50515776   
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))
BDBM50515776
PNG
(CHEMBL4592163)
Show SMILES Cc1nnc2CCC(Nc3ccc4ccccc4c3)c3cc(ccc3-n12)-c1cnn(C)c1
Show InChI InChI=1S/C26H24N6/c1-17-29-30-26-12-10-24(28-22-9-7-18-5-3-4-6-19(18)13-22)23-14-20(8-11-25(23)32(17)26)21-15-27-31(2)16-21/h3-9,11,13-16,24,28H,10,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant BRD4 BD2 (333 to 460 residues) by fluorescence polarization assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111633
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50515776
PNG
(CHEMBL4592163)
Show SMILES Cc1nnc2CCC(Nc3ccc4ccccc4c3)c3cc(ccc3-n12)-c1cnn(C)c1
Show InChI InChI=1S/C26H24N6/c1-17-29-30-26-12-10-24(28-22-9-7-18-5-3-4-6-19(18)13-22)23-14-20(8-11-25(23)32(17)26)21-15-27-31(2)16-21/h3-9,11,13-16,24,28H,10,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
419n/an/an/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111633
More data for this
Ligand-Target Pair