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Compile Data Set for Download or QSAR

Found 10 hits of ph data with Target = 'Cathepsin E'   
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 E


(Homo sapiens (Human))
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 511n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.01E+3n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 99n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.19E+3n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 233n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 841n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.86E+3n/an/an/an/a4.025



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


US Patent US9353089 (2016)


BindingDB Entry DOI: 10.7270/Q2GQ6WP6
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM202627
PNG
(US9242943, 36)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cc(F)cc3cc(Cl)cnc23)c1
Show InChI InChI=1S/C20H18ClFN4O/c1-20(11-27-10-18(23)26-20)13-3-2-4-16(7-13)25-17-8-15(22)6-12-5-14(21)9-24-19(12)17/h2-9,25H,10-11H2,1H3,(H2,23,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+3n/an/an/an/a5.525



SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A substrate peptide is labeled at the N-terminus with tryptophan and at the C-terminus with the fluorophore MR121 (for cathepsin D the 10 amino acid ...


US Patent US9242943 (2016)


BindingDB Entry DOI: 10.7270/Q2833QV5
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM202620
PNG
(US9242943, 29)
Show SMILES C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OC(F)F)cnc23)ccc1F
Show InChI InChI=1S/C21H19F3N4O2/c1-21(11-29-10-18(25)28-21)15-8-13(5-6-16(15)22)27-17-4-2-3-12-7-14(30-20(23)24)9-26-19(12)17/h2-9,20,27H,10-11H2,1H3,(H2,25,28)/t21-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.76E+4n/an/an/an/a5.525



SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A substrate peptide is labeled at the N-terminus with tryptophan and at the C-terminus with the fluorophore MR121 (for cathepsin D the 10 amino acid ...


US Patent US9242943 (2016)


BindingDB Entry DOI: 10.7270/Q2833QV5
More data for this
Ligand-Target Pair