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BDBM220608 US9296741, 197

SMILES: CCS(=O)(=O)c1ccc(OC2CCC3(CC2)OCCO3)c(c1)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=BNDNNEBBNKRBOY-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 220608   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM220608
PNG
(US9296741, 197)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC3(CC2)OCCO3)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H28N2O6S/c1-3-33(28,29)17-4-5-21(32-16-6-9-24(10-7-16)30-12-13-31-24)19(14-17)20-15-26(2)23(27)22-18(20)8-11-25-22/h4-5,8,11,14-16,25H,3,6-7,9-10,12-13H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.790 -12.4n/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
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM220608
PNG
(US9296741, 197)
Show SMILES CCS(=O)(=O)c1ccc(OC2CCC3(CC2)OCCO3)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H28N2O6S/c1-3-33(28,29)17-4-5-21(32-16-6-9-24(10-7-16)30-12-13-31-24)19(14-17)20-15-26(2)23(27)22-18(20)8-11-25-22/h4-5,8,11,14-16,25H,3,6-7,9-10,12-13H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.5 -12.0n/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