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BDBM111086 US9695179, 83

SMILES: COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(C)cc3)c(-c3coc(C)n3)c2=O)cc1

InChI Key: InChIKey=BLXDMSFOEDBEGQ-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 111086   
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
BRD4-BD1-BD2


(Homo sapiens (Human))
BDBM111086
PNG
(US9695179, 83)
Show SMILES COc1ccc(Cn2c3ccc(Cl)cc3c(OS(=O)(=O)c3ccc(C)cc3)c(-c3coc(C)n3)c2=O)cc1
Show InChI InChI=1S/C28H23ClN2O6S/c1-17-4-11-22(12-5-17)38(33,34)37-27-23-14-20(29)8-13-25(23)31(15-19-6-9-21(35-3)10-7-19)28(32)26(27)24-16-36-18(2)30-24/h4-14,16H,15H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.42E+5n/an/an/an/an/a25



ConverGene LLC

US Patent


Assay Description
The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N...


US Patent US9695179 (2017)


BindingDB Entry DOI: 10.7270/Q21G0JF6
More data for this
Ligand-Target Pair