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BDBM189818 US9174997, 27

SMILES: CC1=C([N+]#[C-])[C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(C)(=O)=O)c1ccc(cc1S(C)(=O)=O)C#N

InChI Key: InChIKey=SSTRIDVPMWQNMY-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189818   
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))
BDBM189818
PNG
(US9174997, 27)
Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(C)(=O)=O)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1|
Show InChI InChI=1S/C22H17F3N4O5S2/c1-13-19(27-2)20(17-9-8-14(12-26)10-18(17)35(3,31)32)29(36(4,33)34)21(30)28(13)16-7-5-6-15(11-16)22(23,24)25/h5-11,20H,1,3-4H3/t20-/m1/s1
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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