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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukocyte elastase' and Ligand = 'BDBM50003160'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50003160
PNG
(CHEMBL435611 | [(3-Acetoxymethyl-7-methoxy-5,5,8-t...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(CC(O)=O)Cc1ccccc1)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C20H22N2O9S/c1-12(23)31-10-14-11-32(28,29)20-17(30-2)19(27)22(20)16(14)18(26)21(9-15(24)25)8-13-6-4-3-5-7-13/h3-7,17,20H,8-11H2,1-2H3,(H,24,25)/t17-,20+/m0/s1
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Similars

Article
PubMed
6.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 3731-44 (1992)


Article DOI: 10.1021/jm00099a002
BindingDB Entry DOI: 10.7270/Q2BP03D7
More data for this
Ligand-Target Pair