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BDBM156892 US9029559, 330

SMILES: COc1ccc(nc1-c1ccccc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl

InChI Key: InChIKey=MSTHUMBQLQYGKA-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 = 156892   
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))
BDBM156892
PNG
(US9029559, 330)
Show SMILES COc1ccc(nc1-c1ccccc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H19ClN2O4/c1-29-19-12-11-17(24-21(19)14-7-3-2-4-8-14)22(28)25-18(13-20(26)27)15-9-5-6-10-16(15)23/h2-12,18H,13H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 75.1n/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