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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50058385   
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))		BDBM50058385
PNG
(5-{(S)-2-Methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-...)
Show SMILES COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C27H34F3N3O8/c1-13(2)19(21(34)27(28,29)30)31-23(36)18-8-7-9-33(18)24(37)20(14(3)4)32-22(35)15-10-16(25(38)40-5)12-17(11-15)26(39)41-6/h10-14,18-20H,7-9H2,1-6H3,(H,31,36)(H,32,35)/t18?,19?,20-/m0/s1
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Article
PubMed
 11n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay

J Med Chem 40: 1876-85 (1997)


Article DOI: 10.1021/jm960819g
BindingDB Entry DOI: 10.7270/Q2X92BZJ
More data for this
Ligand-Target Pair