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SMILES: CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N

InChI Key: InChIKey=YMLGFBRVRNXJPZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 310066   
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))		BDBM310066
PNG
(US9657015, Example 29)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N |t:3|
Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)
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US Patent
n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...

US Patent US9657015 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NRP
More data for this
Ligand-Target Pair