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BDBM220735 US9296741, 324

SMILES: CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C#N)-c1cn(C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=UUHZVQLVXOCUNX-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 = 220735   
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))
BDBM220735
PNG
(US9296741, 324)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C#N)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O4S/c1-3-34(31,32)28-19-10-16(17-12-29(2)23(30)22-15(17)6-7-27-22)21(8-13(19)11-26)33-20-5-4-14(24)9-18(20)25/h4-10,12,27-28H,3H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20 -12.2n/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))
BDBM220735
PNG
(US9296741, 324)
Show SMILES CCS(=O)(=O)Nc1cc(c(Oc2ccc(F)cc2F)cc1C#N)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H18F2N4O4S/c1-3-34(31,32)28-19-10-16(17-12-29(2)23(30)22-15(17)6-7-27-22)21(8-13(19)11-26)33-20-5-4-14(24)9-18(20)25/h4-10,12,27-28H,3H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.20 -11.6n/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