BindingDB logo
myBDB logout

BDBM156793 US9029559, 222

SMILES: COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1

InChI Key: InChIKey=FRFDQWGSHNQWEZ-NRFANRHFSA-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 = 156793   
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))
BDBM156793
PNG
(US9029559, 222)
Show SMILES COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H26N2O4/c1-15-8-10-18(11-9-15)21(14-23(28)29)27-25(30)20-12-13-22(31-4)24(26-20)19-7-5-6-16(2)17(19)3/h5-13,21H,14H2,1-4H3,(H,27,30)(H,28,29)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 37n/an/an/an/an/an/a



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