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SMILES: Cn1cc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)NCC2)c1cccc(c1)C(F)(F)F)C#N

InChI Key: InChIKey=INFUEYYUAMXEEZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 310061   
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))		BDBM310061
PNG
(US9657015, Example 24)
Show SMILES Cn1cc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)NCC2)c1cccc(c1)C(F)(F)F)C#N |c:19|
Show InChI InChI=1S/C25H19F3N6O2/c1-33-13-15(12-31-33)19-9-14(11-29)5-6-18(19)22-21-20(7-8-30-23(21)35)34(24(36)32-22)17-4-2-3-16(10-17)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,30,35)(H,32,36)
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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