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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 = 'BDBM220506'   
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))
BDBM220506
PNG
(US9296741, 95)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10 -51.1n/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))
BDBM220506
PNG
(US9296741, 95)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccccc2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C20H17N3O4S/c1-23-12-17(15-9-10-22-19(15)20(23)24)16-11-14(28(21,25)26)7-8-18(16)27-13-5-3-2-4-6-13/h2-12,22H,1H3,(H2,21,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8.70 -46.0n/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