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BDBM183878 US9150526, 131

SMILES: COc1c(C)cccc1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1

InChI Key: InChIKey=WZLSJHWPORLIPW-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 183878   
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
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM183878
PNG
(US9150526, 131)
Show SMILES COc1c(C)cccc1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1
Show InChI InChI=1/C20H18FNO4/c1-12-4-3-5-16(19(12)25-2)13-8-14(10-15(21)9-13)17(11-18(23)24)20-22-6-7-26-20/h3-10,17H,11H2,1-2H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 474n/an/an/an/a6.037



Sanofi

US Patent


Assay Description
Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...


US Patent US9150526 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4VXP
More data for this
Ligand-Target Pair