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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Putative cathepsin L 3'   
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
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153290
PNG
(CHEMBL182062 | Na[AuCl4] | gold chloride sodium | ...)
Show SMILES Cl[Au](Cl)Cl
Show InChI InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
5.60E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153289
PNG
(CHEMBL182346 | disodium [2-(sulfanyl-kappaS)butane...)
Show SMILES [O-]C(=O)CC(S[Au])C([O-])=O
Show InChI InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3
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Article
PubMed
2.40E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153291
PNG
((1-Thio-beta-D-glucopyranosato)(triethylphosphine)...)
Show SMILES CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
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PubMed
5.00E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153290
PNG
(CHEMBL182062 | Na[AuCl4] | gold chloride sodium | ...)
Show SMILES Cl[Au](Cl)Cl
Show InChI InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3
KEGG

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153289
PNG
(CHEMBL182346 | disodium [2-(sulfanyl-kappaS)butane...)
Show SMILES [O-]C(=O)CC(S[Au])C([O-])=O
Show InChI InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3
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Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153291
PNG
((1-Thio-beta-D-glucopyranosato)(triethylphosphine)...)
Show SMILES CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair