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BDBM50285285 2,6-Dichloro-benzoic acid 6-methoxy-1,1,3-trioxo-4-propoxy-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL274582

SMILES: CCCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O

InChI Key: InChIKey=GWGJNFCRDFADLX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285285   
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))
BDBM50285285
PNG
(2,6-Dichloro-benzoic acid 6-methoxy-1,1,3-trioxo-4...)
Show SMILES CCCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C19H17Cl2NO7S/c1-3-7-28-14-8-11(27-2)9-15-17(14)18(23)22(30(15,25)26)10-29-19(24)16-12(20)5-4-6-13(16)21/h4-6,8-9H,3,7,10H2,1-2H3
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PC cid
PC sid
UniChem
Article
0.340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)


Bioorg Med Chem Lett 5: 105-109 (1995)


Article DOI: 10.1016/0960-894X(94)00466-S
BindingDB Entry DOI: 10.7270/Q2V69JJN
More data for this
Ligand-Target Pair