BindingDB logo
myBDB logout

BDBM157044 US9029559, 497

SMILES: COc1ccc(nc1-c1cccc(C)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl

InChI Key: InChIKey=SSSXUNZPXVHSBY-SFHVURJKSA-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 = 157044   
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))
BDBM157044
PNG
(US9029559, 497)
Show SMILES COc1ccc(nc1-c1cccc(C)c1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2N2O4/c1-13-6-5-8-15(21(13)25)22-19(31-2)11-10-17(26-22)23(30)27-18(12-20(28)29)14-7-3-4-9-16(14)24/h3-11,18H,12H2,1-2H3,(H,27,30)(H,28,29)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 67.8n/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