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BDBM193540 US9199947, 33

SMILES: OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(OCc2ccccc2)c(F)c1

InChI Key: InChIKey=ABZPAKLBWDQZPL-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 193540   
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


(Homo sapiens (Human))
BDBM193540
PNG
(US9199947, 33)
Show SMILES OC(=O)CC(c1nccs1)c1cccc(c1)-c1ccc(OCc2ccccc2)c(F)c1
Show InChI InChI=1/C25H20FNO3S/c26-22-14-19(9-10-23(22)30-16-17-5-2-1-3-6-17)18-7-4-8-20(13-18)21(15-24(28)29)25-27-11-12-31-25/h1-14,21H,15-16H2,(H,28,29)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.43E+3n/an/an/an/a5.525



Sanofi

US Patent


Assay Description
The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...


US Patent US9199947 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DFJ
More data for this
Ligand-Target Pair