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SMILES: FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1C(F)(F)F)C#N

InChI Key: InChIKey=DILNDHLFWBZRSJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 310064   
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))		BDBM310064
PNG
(US9657015, Example 27)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1C(F)(F)F)C#N |c:16|
Show InChI InChI=1S/C22H14F6N4O2/c23-21(24,25)12-2-1-3-13(9-12)32-16-6-7-30-19(33)17(16)18(31-20(32)34)14-5-4-11(10-29)8-15(14)22(26,27)28/h1-5,8-9,18H,6-7H2,(H,30,33)(H,31,34)
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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