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BDBM157001 US9029559, 446

SMILES: COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl

InChI Key: InChIKey=MQGKSKROFSUAOT-SFHVURJKSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 157001   
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))
BDBM157001
PNG
(US9029559, 446)
Show SMILES COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H17ClF2N2O4/c1-31-19-9-8-17(26-21(19)14-10-12(24)6-7-16(14)25)22(30)27-18(11-20(28)29)13-4-2-3-5-15(13)23/h2-10,18H,11H2,1H3,(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 57.1n/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