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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50291924'   
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))		BDBM50291924
PNG
((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1nnnn1C)S2(=O)=O |t:14|
Show InChI InChI=1S/C15H21N5O5S2/c1-7-8(10(21)15(2,3)4)20-11(22)9(25-6)12(20)27(23,24)13(7)26-14-16-17-18-19(14)5/h9,12-13H,1-6H3/t9-,12?,13-/m0/s1
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PubMed
n/an/an/an/an/an/a 1n/an/a



Pharmacia Farmitalia Carlo Erba

Curated by ChEMBL


Assay Description
Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation

J Med Chem 37: 4003-19 (1994)


BindingDB Entry DOI: 10.7270/Q2T43S5B
More data for this
Ligand-Target Pair