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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005169'   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005169
PNG
(3-Acetoxymethyl-7-acetyl-5,5-dihydroxy-8-oxo-5lamb...)
Show SMILES CC(=O)OCC1=C(N2C([C@H](C(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C16H21NO8S/c1-8(18)11-13(20)17-12(15(21)25-16(3,4)5)10(6-24-9(2)19)7-26(22,23)14(11)17/h11H,6-7H2,1-5H3,(H-,22,23)/t11-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase

J Med Chem 35: 641-62 (1992)


BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair