BindingDB logo
myBDB logout

Patent code US10125097

Compile Data Set for Download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298372
PNG
((S)-1-((S)-1-(4-(benzyloxy)-3-(trifluoromethyl)ben...)
Show SMILES FC(F)(F)c1cc(ccc1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C25H22F5N3O3/c26-24(27)12-20(23(35)32-10-4-7-18(32)13-31)33(15-24)22(34)17-8-9-21(19(11-17)25(28,29)30)36-14-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,18,20H,4,7,10,12,14-15H2/t18-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298373
PNG
((S)-1-((S)-1-(4-(benzyloxy)-3-fluorobenzoyl)-4,4-d...)
Show SMILES Fc1cc(ccc1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H22F3N3O3/c25-19-11-17(8-9-21(19)33-14-16-5-2-1-3-6-16)22(31)30-15-24(26,27)12-20(30)23(32)29-10-4-7-18(29)13-28/h1-3,5-6,8-9,11,18,20H,4,7,10,12,14-15H2/t18-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298357
PNG
((S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C27H31N3O5/c1-18-12-22(27(32)29-11-7-10-21(29)15-28)30(16-18)26(31)20-13-23(33-2)25(24(14-20)34-3)35-17-19-8-5-4-6-9-19/h4-6,8-9,13-14,18,21-22H,7,10-12,16-17H2,1-3H3/t18-,21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.1n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298355
PNG
((S)-1-((2S)-1-(4-(benzyloxy)-3,5-dimethoxybenzoyl)...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C26H27F2N3O5/c1-34-21-11-18(12-22(35-2)23(21)36-15-17-7-4-3-5-8-17)24(32)31-16-26(27,28)13-20(31)25(33)30-10-6-9-19(30)14-29/h3-5,7-8,11-12,19-20H,6,9-10,13,15-16H2,1-2H3/t19-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48.7n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298352
PNG
((S)-1-((2S,4R)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C26H28FN3O5/c1-33-22-11-18(12-23(34-2)24(22)35-16-17-7-4-3-5-8-17)25(31)30-15-19(27)13-21(30)26(32)29-10-6-9-20(29)14-28/h3-5,7-8,11-12,19-21H,6,9-10,13,15-16H2,1-2H3/t19-,20+,21+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60.4n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298345
PNG
((S)-1-((2S,4R)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C27H31N3O6/c1-33-21-14-22(27(32)29-11-7-10-20(29)15-28)30(16-21)26(31)19-12-23(34-2)25(24(13-19)35-3)36-17-18-8-5-4-6-9-18/h4-6,8-9,12-13,20-22H,7,10-11,14,16-17H2,1-3H3/t20-,21+,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 63.8n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM298363
PNG
((S)-1-((2S)-1-(4-benzoyloxy-3,5-dimethoxybenzoyl)-...)
Show SMILES COc1cc(cc(OC)c1OC(=O)c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C26H25F2N3O6/c1-35-20-11-17(12-21(36-2)22(20)37-25(34)16-7-4-3-5-8-16)23(32)31-15-26(27,28)13-19(31)24(33)30-10-6-9-18(30)14-29/h3-5,7-8,11-12,18-19H,6,9-10,13,15H2,1-2H3/t18-,19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 111n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298356
PNG
((S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)SC
Show InChI InChI=1S/C27H31N3O5S/c1-33-23-12-19(13-24(34-2)25(23)35-17-18-8-5-4-6-9-18)26(31)30-16-21(36-3)14-22(30)27(32)29-11-7-10-20(29)15-28/h4-6,8-9,12-13,20-22H,7,10-11,14,16-17H2,1-3H3/t20-,21-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 176n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298359
PNG
((S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)C(F)(F)F
Show InChI InChI=1S/C27H28F3N3O5/c1-36-22-11-18(12-23(37-2)24(22)38-16-17-7-4-3-5-8-17)25(34)33-15-19(27(28,29)30)13-21(33)26(35)32-10-6-9-20(32)14-31/h3-5,7-8,11-12,19-21H,6,9-10,13,15-16H2,1-2H3/t19-,20-,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 176n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298371
PNG
((S)-1-((S)-1-(2-(benzyloxy)benzoyl)-4,4-difluoropy...)
Show SMILES FC1(F)C[C@H](N(C1)C(=O)c1ccccc1OCc1ccccc1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)13-20(23(31)28-12-6-9-18(28)14-27)29(16-24)22(30)19-10-4-5-11-21(19)32-15-17-7-2-1-3-8-17/h1-5,7-8,10-11,18,20H,6,9,12-13,15-16H2/t18-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 255n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298368
PNG
((S)-1-((S)-1-(4-(benzyloxy)benzoyl)-4,4-difluoropy...)
Show SMILES FC1(F)C[C@H](N(C1)C(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)13-21(23(31)28-12-4-7-19(28)14-27)29(16-24)22(30)18-8-10-20(11-9-18)32-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21H,4,7,12-13,15-16H2/t19-,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 287n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM298364
PNG
((S)-1-((2S)-1-(3,4-dibenzyloxy-5-methoxybenzoyl)-4...)
Show SMILES COc1cc(cc(OCc2ccccc2)c1OCc1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCCC1C#N
Show InChI InChI=1S/C32H31F2N3O5/c1-40-27-15-24(30(38)37-21-32(33,34)17-26(37)31(39)36-14-8-13-25(36)18-35)16-28(41-19-22-9-4-2-5-10-22)29(27)42-20-23-11-6-3-7-12-23/h2-7,9-12,15-16,25-26H,8,13-14,17,19-21H2,1H3/t25?,26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 336n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298353
PNG
((S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C32H33N3O5/c1-38-28-17-24(18-29(39-2)30(28)40-21-22-10-5-3-6-11-22)31(36)35-20-25(23-12-7-4-8-13-23)16-27(35)32(37)34-15-9-14-26(34)19-33/h3-8,10-13,17-18,25-27H,9,14-16,20-21H2,1-2H3/t25-,26+,27+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 339n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM298361
PNG
((S)-1-((2S)-1-(4-acetoxy-3,5-dimethoxybenzoyl)-4,4...)
Show SMILES COc1cc(cc(OC)c1OC(C)=O)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H23F2N3O6/c1-12(27)32-18-16(30-2)7-13(8-17(18)31-3)19(28)26-11-21(22,23)9-15(26)20(29)25-6-4-5-14(25)10-24/h7-8,14-15H,4-6,9,11H2,1-3H3/t14-,15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 352n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298369
PNG
((S)-1-((S)-1-(3-(benzyloxy)benzoyl)-4,4-difluoropy...)
Show SMILES FC1(F)C[C@H](N(C1)C(=O)c1cccc(OCc2ccccc2)c1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H23F2N3O3/c25-24(26)13-21(23(31)28-11-5-9-19(28)14-27)29(16-24)22(30)18-8-4-10-20(12-18)32-15-17-6-2-1-3-7-17/h1-4,6-8,10,12,19,21H,5,9,11,13,15-16H2/t19-,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 487n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM298360
PNG
((S)-1-((2S,4R)-1-(4-(benzyloxy)-3,5-dimethoxybenzo...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)OC(C)(C)C
Show InChI InChI=1S/C30H37N3O6/c1-30(2,3)39-23-16-24(29(35)32-13-9-12-22(32)17-31)33(18-23)28(34)21-14-25(36-4)27(26(15-21)37-5)38-19-20-10-7-6-8-11-20/h6-8,10-11,14-15,22-24H,9,12-13,16,18-19H2,1-5H3/t22-,23+,24-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 668n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM298367
PNG
((S)-1-((2S)-1-(3-pivaloyloxy-4,5-dimethoxybenzoyl)...)
Show SMILES COc1cc(cc(OC(=O)C(C)(C)C)c1OC)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C24H29F2N3O6/c1-23(2,3)22(32)35-18-10-14(9-17(33-4)19(18)34-5)20(30)29-13-24(25,26)11-16(29)21(31)28-8-6-7-15(28)12-27/h9-10,15-16H,6-8,11,13H2,1-5H3/t15-,16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.14E+3n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (Human))
BDBM298366
PNG
((S)-1-((2S)-1-(3-acetoxy-4,5-dimethoxybenzoyl)-4,4...)
Show SMILES COc1cc(cc(OC(C)=O)c1OC)C(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H23F2N3O6/c1-12(27)32-17-8-13(7-16(30-2)18(17)31-3)19(28)26-11-21(22,23)9-15(26)20(29)25-6-4-5-14(25)10-24/h7-8,14-15H,4-6,9,11H2,1-3H3/t14-,15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.60E+3n/an/an/an/an/an/a



UNIVERSITAT DE BARCELONA; FUNDACIO INSTITUT DE RECERCA BIOMEDICA (IRB BARCELONA); IPROTEOS S.L.

US Patent


Assay Description
POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AM...


US Patent US10125097 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%