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BDBM156727 US9029559, 143

SMILES: Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1F

InChI Key: InChIKey=KUXAWZHUATUITM-FQEVSTJZSA-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 = 156727   
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))
BDBM156727
PNG
(US9029559, 143)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1F
Show InChI InChI=1S/C22H19FN2O3/c1-14-7-2-3-8-15(14)20(13-21(26)27)25-22(28)19-12-6-11-18(24-19)16-9-4-5-10-17(16)23/h2-12,20H,13H2,1H3,(H,25,28)(H,26,27)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 73.3n/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