BindingDB logo
myBDB logout

BDBM183759 US9150526, 8

SMILES: COc1ccc(Cl)cc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1

InChI Key: InChIKey=OPIIWWNXKUMBPY-UHFFFAOYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 183759   
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))
BDBM183759
PNG
(US9150526, 8)
Show SMILES COc1ccc(Cl)cc1-c1cc(Cl)cc(c1)C(CC(O)=O)c1ncc(C)s1
Show InChI InChI=1/C20H17Cl2NO3S/c1-11-10-23-20(27-11)17(9-19(24)25)13-5-12(6-15(22)7-13)16-8-14(21)3-4-18(16)26-2/h3-8,10,17H,9H2,1-2H3,(H,24,25)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34n/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