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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 = 'BDBM220750'   
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))
BDBM220750
PNG
(US9296741, 339)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(CN3CCN(C)CC3)cc12
Show InChI InChI=1S/C28H31F2N5O4S/c1-4-40(37,38)32-19-6-8-25(39-26-7-5-18(29)13-24(26)30)21(14-19)23-17-34(3)28(36)27-22(23)15-20(31-27)16-35-11-9-33(2)10-12-35/h5-8,13-15,17,31-32H,4,9-12,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.800 -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))
BDBM220750
PNG
(US9296741, 339)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]c(CN3CCN(C)CC3)cc12
Show InChI InChI=1S/C28H31F2N5O4S/c1-4-40(37,38)32-19-6-8-25(39-26-7-5-18(29)13-24(26)30)21(14-19)23-17-34(3)28(36)27-22(23)15-20(31-27)16-35-11-9-33(2)10-12-35/h5-8,13-15,17,31-32H,4,9-12,16H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
31.6 -42.8n/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