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BDBM50039646 2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic acid 4-isopropyl-1,1,3-trioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thiophen-2-ylmethyl ester; hydrochloride::CHEMBL539031

SMILES: CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O

InChI Key: InChIKey=HROGKJXKWGBGNG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039646   
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))
BDBM50039646
PNG
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C25H27Cl2NO7S/c1-15(2)16-4-3-5-19-21(16)24(29)20(36(19,31)32)14-35-25(30)22-17(26)6-7-18(23(22)27)34-13-10-28-8-11-33-12-9-28/h3-7,15,20H,8-14H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
0.0100n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceutical Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition constant of human leukocyte elastase.


J Med Chem 37: 2623-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7QGN
More data for this
Ligand-Target Pair