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BDBM50029693 4-Isopropyl-6-methoxy-1,1-dioxo-2-(2-oxo-2H-thiochromen-4-yloxymethyl)-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL341905

SMILES: COc1cc2c(C(=O)N(COc3cc(=O)sc4ccccc34)S2(=O)=O)c(c1)C(C)C

InChI Key: InChIKey=AFSLAEMRLQDHMP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029693   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50029693
PNG
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(2-oxo-2H-thioch...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(=O)sc4ccccc34)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H19NO6S2/c1-12(2)15-8-13(27-3)9-18-20(15)21(24)22(30(18,25)26)11-28-16-10-19(23)29-17-7-5-4-6-14(16)17/h4-10,12H,11H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
0.220n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant


J Med Chem 38: 4687-92 (1995)


BindingDB Entry DOI: 10.7270/Q2KP816X
More data for this
Ligand-Target Pair