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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 = 'BDBM220516'   
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))
BDBM220516
PNG
(US9296741, 105)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H25N3O5S/c1-3-30(26,27)23-14-6-7-19(29-15-5-4-10-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)8-9-22-20/h6-9,11-12,15,22-23H,3-5,10,13H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.520 -53.0n/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))
BDBM220516
PNG
(US9296741, 105)
Show SMILES CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1/C21H25N3O5S/c1-3-30(26,27)23-14-6-7-19(29-15-5-4-10-28-13-15)17(11-14)18-12-24(2)21(25)20-16(18)8-9-22-20/h6-9,11-12,15,22-23H,3-5,10,13H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.5 -50.4n/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