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BDBM157048 US9029559, 501

SMILES: OC(=O)CC(NC(=O)c1cccc(Cl)n1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=MBLOXSIAJATUNY-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 = 157048   
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))
BDBM157048
PNG
(US9029559, 501)
Show SMILES OC(=O)CC(NC(=O)c1cccc(Cl)n1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C21H17ClN2O3/c22-19-8-4-7-17(23-19)21(27)24-18(13-20(25)26)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-12,18H,13H2,(H,24,27)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 463n/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 US9029559 (2015)


BindingDB Entry DOI: 10.7270/Q22V2DW7
More data for this
Ligand-Target Pair