BindingDB logo
myBDB logout

null

SMILES: Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc(CN3CCN(CC3)C3CCOCC3)[nH]c2c1=O

InChI Key: InChIKey=XVDGEDIPXWSYHY-UHFFFAOYSA-N

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 = 390852   
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


(Homo sapiens (Human))
BDBM390852
PNG
(US9957263, Example 116)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc(CN3CCN(CC3)C3CCOCC3)[nH]c2c1=O
Show InChI InChI=1S/C31H34F2N4O5S/c1-35-19-26(24-17-23(43(2,39)40)4-6-28(24)42-29-5-3-20(32)15-27(29)33)25-16-21(34-30(25)31(35)38)18-36-9-11-37(12-10-36)22-7-13-41-14-8-22/h3-6,15-17,19,22,34H,7-14,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.33n/an/an/an/an/an/an/an/a



GSK



Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2Q81GDF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM390852
PNG
(US9957263, Example 116)
Show SMILES Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc(CN3CCN(CC3)C3CCOCC3)[nH]c2c1=O
Show InChI InChI=1S/C31H34F2N4O5S/c1-35-19-26(24-17-23(43(2,39)40)4-6-28(24)42-29-5-3-20(32)15-27(29)33)25-16-21(34-30(25)31(35)38)18-36-9-11-37(12-10-36)22-7-13-41-14-8-22/h3-6,15-17,19,22,34H,7-14,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
98.4n/an/an/an/an/an/an/an/a



GSK



Assay Description
Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2Q81GDF
More data for this
Ligand-Target Pair