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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50098836'   
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))		BDBM50098836
PNG
(CHEMBL24260 | N-[1-(5-tert-Butyl-[1,3,4]oxadiazole...)
Show SMILES CC(C)[C@H](NC(=O)Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)C(=O)c1nnc(o1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O5/c1-13(2)19(20(33)21-29-30-23(36-21)25(3,4)5)28-18(32)12-31-22(34)17(27-24(31)35)10-14-11-26-16-9-7-6-8-15(14)16/h6-9,11,13,19,26,34H,10,12H2,1-5H3,(H,27,35)(H,28,32)/t19-/m0/s1
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 163n/an/an/an/an/an/an/an/a



Cortech, Inc.

Curated by ChEMBL


Assay Description
Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate

J Med Chem 44: 1268-85 (2001)


BindingDB Entry DOI: 10.7270/Q2B858VW
More data for this
Ligand-Target Pair