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SMILES: Cc1ccncc1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CMPDAJMBLIDHHS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232351   
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))		BDBM232351
PNG
(US9346794, 57)
Show SMILES Cc1ccncc1-n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H24F3N5O3S/c1-18-11-12-34-15-25(18)37-16-24(27(38)26(19(37)2)21-5-4-6-22(13-21)29(30,31)32)28(39)35-14-20-7-9-23(10-8-20)41(3,40)36-17-33/h4-13,15-16H,14H2,1-3H3,(H,35,39)
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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 US9346794 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KSJ
More data for this
Ligand-Target Pair