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SMILES: CC(C)(CO)NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N

InChI Key: InChIKey=VIUSXMGACAPASW-XMMPIXPASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 405540   
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))		BDBM405540
PNG
(USRE47493, Example 75.13)
Show SMILES CC(C)(CO)NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:10|
Show InChI InChI=1S/C28H29F3N4O6S/c1-27(2,15-36)33-25(38)35-24(19-11-10-16(14-32)12-22(19)42(3,40)41)23-20(8-5-9-21(23)37)34(26(35)39)18-7-4-6-17(13-18)28(29,30)31/h4,6-7,10-13,24,36,40-41H,5,8-9,15H2,1-3H3,(H,33,38)/t24-/m1/s1
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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 Bache...

US Patent USRE47493 (2019)


BindingDB Entry DOI: 10.7270/Q2668GJJ
More data for this
Ligand-Target Pair