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BDBM50153291 (1-Thio-beta-D-glucopyranosato)(triethylphosphine)gold2,3,4,6-tetraacetate::AURANOFIN::CHEMBL1366::Ridaura::SK&F-39162::SK-39162

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

InChI Key: InChIKey=AUJRCFUBUPVWSZ-XTZHGVARSA-M

Data: 3 KI  3 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 6 hits for monomerid = 50153291   
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 (B and K)


(Homo sapiens)
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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Article
PubMed
4.40E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin B


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

More data for this
Ligand-Target Pair
Cathepsin L2


(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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Article
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)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
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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>1.00E+6n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin L


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

More data for this
Ligand-Target Pair
Cathepsin L2


(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
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)

More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (human))
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
n/an/a>2.50E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver cathepsin L


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

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
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
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver cathepsin B


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

More data for this
Ligand-Target Pair