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SMILES: CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1Br)C#N

InChI Key: InChIKey=XWTIMISLSSZQGU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 310059   
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))		BDBM310059
PNG
(US9657015, Example 22)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1Br)C#N |t:3|
Show InChI InChI=1S/C22H16BrF3N4O2/c1-29-19(15-6-5-12(11-27)9-16(15)23)18-17(7-8-28-20(18)31)30(21(29)32)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,28,31)
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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