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SMILES: CC1=C([N+]#[C-])[C@@H](c2ccc(cc2S(C)(=O)=O)C#N)n2nc(NC(=O)C3CC3)nc2N1c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=OYOWDDFYVROSHC-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104823   
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))		BDBM104823
PNG
(US8569314, 35)
Show SMILES CC1=C([N+]#[C-])[C@@H](c2ccc(cc2S(C)(=O)=O)C#N)n2nc(NC(=O)C3CC3)nc2N1c1cccc(c1)C(F)(F)F |r,c:1|
Show InChI InChI=1S/C26H20F3N7O3S/c1-14-21(31-2)22(19-10-7-15(13-30)11-20(19)40(3,38)39)36-25(33-24(34-36)32-23(37)16-8-9-16)35(14)18-6-4-5-17(12-18)26(27,28)29/h4-7,10-12,16,22H,8-9H2,1,3H3,(H,32,34,37)/t22-/m1/s1
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Similars
US Patent
n/an/a<0.300n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...

US Patent US8569314 (2013)


BindingDB Entry DOI: 10.7270/Q2FJ2FF4
More data for this
Ligand-Target Pair