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BDBM50505856 CHEMBL3188223

SMILES: COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=KVWWTCSJLGHLRM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50505856   
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
NACHT, LRR and PYD domains-containing protein 3


(Mus musculus)
BDBM50505856
PNG
(CHEMBL3188223)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.25E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells assessed as reduction in IL-1beta level incubated for 30 mins in presen...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111822
More data for this
Ligand-Target Pair