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SMILES: CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1

InChI Key: InChIKey=YKBXENGOXPIFNN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232308   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM232308
PNG
(US9346794, 12)
Show SMILES CCS(=O)(=NC#N)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1
Show InChI InChI=1S/C27H27F3N4O3S/c1-5-38(37,33-16-31)22-11-9-19(10-12-22)14-32-26(36)23-15-34(17(2)3)18(4)24(25(23)35)20-7-6-8-21(13-20)27(28,29)30/h6-13,15,17H,5,14H2,1-4H3,(H,32,36)
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PC cid
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US Patent
n/an/a<1n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...

US Patent US9346794 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KSJ
More data for this
Ligand-Target Pair