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SMILES: CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F

InChI Key: InChIKey=OGSWJNLGILNBLO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 230368   
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))
BDBM230368
PNG
(US9340507, 28.2)
Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F
Show InChI InChI=1S/C26H28F2N2O4S/c1-15(2)30-14-21(24(31)23(17(30)4)19-7-6-8-20(12-19)25(27)28)26(32)29-13-18-9-10-22(16(3)11-18)35(5,33)34/h6-12,14-15,25H,13H2,1-5H3,(H,29,32)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...


US Patent US9340507 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81RD
More data for this
Ligand-Target Pair