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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cathepsin B' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 B


(Mus musculus)
BDBM36334
PNG
(CID644294 | JPM 565 | JPM-OEt)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C(C)CC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C20H28N2O6/c1-4-12(3)15(22-19(25)16-17(28-16)20(26)27-5-2)18(24)21-11-10-13-6-8-14(23)9-7-13/h6-9,12,15-17,23H,4-5,10-11H2,1-3H3,(H,21,24)(H,22,25)/t12?,15-,16-,17-/m0/s1
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PubMed
n/an/a 780n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM50371947
PNG
(BIS(2-ETHYLHEXYL)PHTHALATE)
Show SMILES CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC
Show InChI InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Pukyong National University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B in mouse B16F10 cells


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM50371946
PNG
(CHEMBL272485)
Show SMILES CCCCOC(=O)c1ccccc1C(=O)OCCCC
Show InChI InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
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PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Pukyong National University

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B in mouse B16F10 cells


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM36332
PNG
(LI-1 | Legumain Inhibitor -1)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O
Show InChI InChI=1S/C15H22N4O7/c1-3-25-15(24)12-11(26-12)14(23)19(7-10(16)21)17-13(22)9-5-4-6-18(9)8(2)20/h9,11-12H,3-7H2,1-2H3,(H2,16,21)(H,17,22)/t9-,11-,12-/m0/s1
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n/an/a 3.90E+5n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Mus musculus)
BDBM36333
PNG
(LI-0 | Legumain Inhibitor -0)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O
Show InChI InChI=1S/C21H28N2O6/c1-13-6-4-7-14(2)19(13)21(28)29-11-9-16(12-18(25)26)22-20(27)17-8-5-10-23(17)15(3)24/h4,6-7,16-17H,5,8-12H2,1-3H3,(H,22,27)(H,25,26)/t16-,17+/m1/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/a6.2525



Stanford University



Assay Description
IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).


Citation and Details
More data for this
Ligand-Target Pair