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2 similar compounds to monomer 157062

Compile data set for download or QSAR
Wt: 319.7
BDBM157061
Wt: 411.8
BDBM157066

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 157061,157066   
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))
BDBM157066
PNG
(US9029559, 519)
Show SMILES Nc1nc(N)c(nc1Cl)C(=O)NC(CC(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H18ClN5O3/c21-17-19(23)26-18(22)16(25-17)20(29)24-14(10-15(27)28)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,24,29)(H,27,28)(H4,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 563n/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
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM157061
PNG
(US9029559, 514)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cncc(Cl)n1
Show InChI InChI=1S/C15H14ClN3O3/c1-9-4-2-3-5-10(9)11(6-14(20)21)19-15(22)12-7-17-8-13(16)18-12/h2-5,7-8,11H,6H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.21E+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