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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 (BRD4)' and Ligand = 'BDBM220482'   
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 (BRD4)


(Homo sapiens (Human))
BDBM220482
PNG
(US9296741, 71)
Show SMILES CCOC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H23N3O6S/c1-4-32-24(29)20-13-18-19(14-27(2)23(28)22(18)25-20)17-12-15(26-34(3,30)31)10-11-21(17)33-16-8-6-5-7-9-16/h5-14,25-26H,4H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.810 -51.9n/an/an/an/an/a6.025



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220482
PNG
(US9296741, 71)
Show SMILES CCOC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
Show InChI InChI=1S/C24H23N3O6S/c1-4-32-24(29)20-13-18-19(14-27(2)23(28)22(18)25-20)17-12-15(26-34(3,30)31)10-11-21(17)33-16-8-6-5-7-9-16/h5-14,25-26H,4H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20 -50.9n/an/an/an/an/a6.025



AbbVie Inc.

US Patent


Assay Description
A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta...


US Patent US9296741 (2016)


BindingDB Entry DOI: 10.7270/Q26W98ZQ
More data for this
Ligand-Target Pair