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BDBM50177030 CHEMBL3813927

SMILES: OP(O)(=O)c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl

InChI Key: InChIKey=JRORPYPDXOLPLV-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50177030   
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
14-3-3 protein sigma


(Homo sapiens (Human))
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

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PC cid
PC sid
PDB
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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)