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BDBM50285281 2,6-Dichloro-benzoic acid 4,5-dimethoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL416154

SMILES: COc1ccc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c1OC

InChI Key: InChIKey=HSVCPJGWRKWRKT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285281   
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))
BDBM50285281
PNG
(2,6-Dichloro-benzoic acid 4,5-dimethoxy-1,1,3-trio...)
Show SMILES COc1ccc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c1OC
Show InChI InChI=1S/C17H13Cl2NO7S/c1-25-11-6-7-12-14(15(11)26-2)16(21)20(28(12,23)24)8-27-17(22)13-9(18)4-3-5-10(13)19/h3-7H,8H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
1.20n/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