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BDBM193593 US9199947, 88

SMILES: COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1ccccc1Cl

InChI Key: InChIKey=ZGEHRXYGPXOOOI-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 = 193593   
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))
BDBM193593
PNG
(US9199947, 88)
Show SMILES COc1ccc(cc1C(CC(O)=O)c1ncc(C)s1)-c1ccccc1Cl
Show InChI InChI=1/C20H18ClNO3S/c1-12-11-22-20(26-12)16(10-19(23)24)15-9-13(7-8-18(15)25-2)14-5-3-4-6-17(14)21/h3-9,11,16H,10H2,1-2H3,(H,23,24)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.69E+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