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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM320347'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM320347
PNG
(2-{[7-(4,4-Difluoropiperidin-1-yl)-3-[4-(2H3)methy...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C31H32F3N7O/c1-19-29(39(2)38-37-19)21-16-26-27(36-18-21)23-6-5-22(40-12-9-31(33,34)10-13-40)17-25(23)41(26)30(20-7-14-42-15-8-20)28-24(32)4-3-11-35-28/h3-6,11,16-18,20,30H,7-10,12-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10174024 (2019)


BindingDB Entry DOI: 10.7270/Q2319XZ1
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM320347
PNG
(2-{[7-(4,4-Difluoropiperidin-1-yl)-3-[4-(2H3)methy...)
Show SMILES Cc1n[nH]n(C)c1-c1cnc2c(c1)n(C(C1CCOCC1)c1ncccc1F)c1cc(ccc21)N1CCC(F)(F)CC1
Show InChI InChI=1S/C31H32F3N7O/c1-19-29(39(2)38-37-19)21-16-26-27(36-18-21)23-6-5-22(40-12-9-31(33,34)10-13-40)17-25(23)41(26)30(20-7-14-42-15-8-20)28-24(32)4-3-11-35-28/h3-6,11,16-18,20,30H,7-10,12-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso...


US Patent US10174024 (2019)


BindingDB Entry DOI: 10.7270/Q2319XZ1
More data for this
Ligand-Target Pair