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SMILES: CCNC(=O)N1[C@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N

InChI Key: InChIKey=DKRGGYHXSIEVMY-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 251864   
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))		BDBM251864
PNG
(US9475779, D.4.1B)
Show SMILES CCNC(=O)N1[C@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N |r,t:7|
Show InChI InChI=1S/C25H22F3N5O5S/c1-3-30-23(35)33-22(16-6-5-14(13-29)11-19(16)39(37,38)4-2)21-17(7-8-18(21)34)32(24(33)36)15-9-10-31-20(12-15)25(26,27)28/h5-6,9-12,22H,3-4,7-8H2,1-2H3,(H,30,35)/t22-/m0/s1
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PC cid
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US Patent
n/an/a 338n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...

US Patent US9475779 (2016)


BindingDB Entry DOI: 10.7270/Q2QJ7G77
More data for this
Ligand-Target Pair