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BDBM157062 US9029559, 515

SMILES: Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1nc(Cl)c(N)nc1N

InChI Key: InChIKey=DRMCERLQNJMKFY-VIFPVBQESA-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 = 157062   
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))
BDBM157062
PNG
(US9029559, 515)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C15H16ClN5O3/c1-7-4-2-3-5-8(7)9(6-10(22)23)19-15(24)11-13(17)21-14(18)12(16)20-11/h2-5,9H,6H2,1H3,(H,19,24)(H,22,23)(H4,17,18,21)/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 87.1n/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