BindingDB logo
myBDB logout

null

SMILES: Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)Cc3ccccc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O

InChI Key: InChIKey=LUPLKPNHMMZVNQ-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 = 390776   
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))
BDBM390776
PNG
(US9957263, Example 38)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)Cc3ccccc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H25N3O6S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(38(2,33)34)11-12-26(24)37-21-10-6-9-20(15-21)30-39(35,36)18-19-7-4-3-5-8-19/h3-17,29-30H,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.90n/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))
BDBM390776
PNG
(US9957263, Example 38)
Show SMILES Cn1cc(-c2cc(ccc2Oc2cccc(NS(=O)(=O)Cc3ccccc3)c2)S(C)(=O)=O)c2cc[nH]c2c1=O
Show InChI InChI=1S/C28H25N3O6S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(38(2,33)34)11-12-26(24)37-21-10-6-9-20(15-21)30-39(35,36)18-19-7-4-3-5-8-19/h3-17,29-30H,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.10n/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