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BDBM157119 US9029559, 603

SMILES: OC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccccc1Cl)c1cccc(Cl)c1

InChI Key: InChIKey=XXDNGKZSQNJBDE-IBGZPJMESA-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 = 157119   
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))
BDBM157119
PNG
(US9029559, 603)
Show SMILES OC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccccc1Cl)c1cccc(Cl)c1
Show InChI InChI=1S/C21H16Cl2N2O3/c22-14-6-3-5-13(11-14)19(12-20(26)27)25-21(28)18-10-4-9-17(24-18)15-7-1-2-8-16(15)23/h1-11,19H,12H2,(H,25,28)(H,26,27)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 80.3n/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