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BDBM189821 US9174997, 36

SMILES: CN1CC2=C([C@H](N(C(=O)N2c2cccc(c2)C(F)(F)F)S(C)(=O)=O)c2ccc(cc2S(C)(=O)=O)C#N)C1=O

InChI Key: InChIKey=CXQUELQTPOBOKG-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189821   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM189821
PNG
(US9174997, 36)
Show SMILES CN1CC2=C([C@H](N(C(=O)N2c2cccc(c2)C(F)(F)F)S(C)(=O)=O)c2ccc(cc2S(C)(=O)=O)C#N)C1=O
Show InChI InChI=1S/C23H19F3N4O6S2/c1-28-12-17-19(21(28)31)20(16-8-7-13(11-27)9-18(16)37(2,33)34)30(38(3,35)36)22(32)29(17)15-6-4-5-14(10-15)23(24,25)26/h4-10,20H,12H2,1-3H3/t20-/m1/s1
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MMDB

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PC sid
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Similars

US Patent
n/an/a<0.300n/an/an/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...


US Patent US9174997 (2015)


BindingDB Entry DOI: 10.7270/Q2GT5KZQ
More data for this
Ligand-Target Pair