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BDBM183823 US9150526, 76

SMILES: COc1ccc(OC)c(c1)-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1

InChI Key: InChIKey=NEVKJTCNYPFBNM-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 183823   
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))
BDBM183823
PNG
(US9150526, 76)
Show SMILES COc1ccc(OC)c(c1)-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C21H20ClNO4S/c1-12-11-23-21(28-12)18(10-20(24)25)14-6-13(7-15(22)8-14)17-9-16(26-2)4-5-19(17)27-3/h4-9,11,18H,10H2,1-3H3,(H,24,25)
PDB
MMDB

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/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