BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 431.3
BDBM50356015
Purchase
Wt: 376.1
BDBM50177030

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
14-3-3 protein sigma


(Homo sapiens)
BDBM50177030
PNG
(CHEMBL3813927)
Show SMILES OP(O)(=O)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H12Cl2NO5P/c15-9-4-3-5-10(14(9)16)17-13(18)8-22-11-6-1-2-7-12(11)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of 14-3-3sigma (unknown origin) assessed as reduction in 14-3-3sigma- mediated increase in MMP1 mRNA by cell based assay


Bioorg Med Chem 24: 3246-54 (2016)


Article DOI: 10.1016/j.bmc.2016.03.023
BindingDB Entry DOI: 10.7270/Q2JD4ZQ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
14-3-3 protein sigma


(Homo sapiens)
BDBM50356015
PNG
(CHEMBL1911376)
Show SMILES CCCCCCOC(=O)c1ccc(Nc2c(cc(cc2[N+]([O-])=O)C(O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H21N3O8/c1-2-3-4-5-10-31-20(26)13-6-8-15(9-7-13)21-18-16(22(27)28)11-14(19(24)25)12-17(18)23(29)30/h6-9,11-12,21H,2-5,10H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant 14-3-3sigma by transferred NOESY analysis


Bioorg Med Chem Lett 21: 6867-71 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.011
BindingDB Entry DOI: 10.7270/Q2S182WM
More data for this
Ligand-Target Pair