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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin L2' and Ligand = 'BDBM50336486'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L2


(Homo sapiens (Human))
BDBM50336486
PNG
(3,4-dihydro-3,5,8-trihydroxy-6-methoxy-2,2,7-trime...)
Show SMILES COc1c(O)c2CC(O)C(C)(C)Oc2c2c1n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C20H21NO6/c1-20(2)12(23)8-10-17(25)19(26-4)15-13(18(10)27-20)16(24)9-6-5-7-11(22)14(9)21(15)3/h5-7,12,22-23,25H,8H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))
BDBM50336486
PNG
(3,4-dihydro-3,5,8-trihydroxy-6-methoxy-2,2,7-trime...)
Show SMILES COc1c(O)c2CC(O)C(C)(C)Oc2c2c1n(C)c1c(O)cccc1c2=O
Show InChI InChI=1S/C20H21NO6/c1-20(2)12(23)8-10-17(25)19(26-4)15-13(18(10)27-20)16(24)9-6-5-7-11(22)14(9)21(15)3/h5-7,12,22-23,25H,8H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin V expressed in Pichia pastoris


Bioorg Med Chem 19: 1477-81 (2011)


Article DOI: 10.1016/j.bmc.2010.12.056
BindingDB Entry DOI: 10.7270/Q2QJ7HK4
More data for this
Ligand-Target Pair