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BDBM220649 US9296741, 238

SMILES: Cn1cc(-c2cc(ccc2NCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=RGTWAYYRUFWQLG-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 = 220649   
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))
BDBM220649
PNG
(US9296741, 238)
Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H20N4O3S/c1-22-10-15(13-6-7-20-17(13)18(22)23)14-8-12(26(19,24)25)4-5-16(14)21-9-11-2-3-11/h4-8,10-11,20-21H,2-3,9H2,1H3,(H2,19,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.780 -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))
BDBM220649
PNG
(US9296741, 238)
Show SMILES Cn1cc(-c2cc(ccc2NCC2CC2)S(N)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C18H20N4O3S/c1-22-10-15(13-6-7-20-17(13)18(22)23)14-8-12(26(19,24)25)4-5-16(14)21-9-11-2-3-11/h4-8,10-11,20-21H,2-3,9H2,1H3,(H2,19,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10 -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