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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 = 'BDBM220452'   
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))
BDBM220452
PNG
(US9296741, 41)
Show SMILES Cn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.510 -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))
BDBM220452
PNG
(US9296741, 41)
Show SMILES Cn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.80 -48.8n/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