BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'antonov' and Initial = 'd'   
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
Genome polyprotein


(Hepatitis C virus)		BDBM124107
PNG
(US8754105, 23)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1)-c1ccccc1 |r,c:21|
Show InChI InChI=1S/C35H38N4O8S/c1-45-24-12-15-27-29(17-24)36-28(22-9-5-4-6-10-22)19-31(27)47-25-18-30-32(40)37-35(33(41)38-48(43,44)26-13-14-26)20-23(35)11-7-2-3-8-16-46-34(42)39(30)21-25/h4-7,9-12,15,17,19,23,25-26,30H,2-3,8,13-14,16,18,20-21H2,1H3,(H,37,40)(H,38,41)/b11-7-/t23-,25-,30+,35-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 0.200 -56.3n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135635
PNG
(2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 0.260n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.280n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135637
PNG
(1-{(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-car...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C31H35N3O5/c35-29(17-7-14-23-10-3-1-4-11-23)33-18-9-16-28(33)31(37)34-19-8-15-27(34)30(36)26-20-25(39-32-26)22-38-21-24-12-5-2-6-13-24/h1-6,10-13,20,27-28H,7-9,14-19,21-22H2/t27-,28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.340n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135634
PNG
((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...)
Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.450n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.87n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.90n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124112
PNG
(US8754105, 25)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1)-c1ccccc1 |r,c:22|
Show InChI InChI=1S/C36H40N4O8S/c1-46-25-13-16-28-30(18-25)37-29(23-10-6-5-7-11-23)20-32(28)48-26-19-31-33(41)38-36(34(42)39-49(44,45)27-14-15-27)21-24(36)12-8-3-2-4-9-17-47-35(43)40(31)22-26/h5-8,10-13,16,18,20,24,26-27,31H,2-4,9,14-15,17,19,21-22H2,1H3,(H,38,41)(H,39,42)/b12-8-/t24-,26-,31+,36-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 2.40 -50.0n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.30n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of PKD2 ( assessed as residual activity at 1 uM ) by TR-FRET assay

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.30n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135636
PNG
((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 7.5n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 15n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human; Moderately active

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135635
PNG
(2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 16n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135634
PNG
((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...)
Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 19n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135632
PNG
((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 36n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135636
PNG
((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 38n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124111
PNG
(US8754105, 24)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1)-c1ccccc1 |r,c:22|
Show InChI InChI=1S/C33H35N3O7/c1-41-23-13-14-25-27(16-23)34-26(21-10-6-5-7-11-21)18-29(25)43-24-17-28-30(37)35-33(31(38)39)19-22(33)12-8-3-2-4-9-15-42-32(40)36(28)20-24/h5-8,10-14,16,18,22,24,28H,2-4,9,15,17,19-20H2,1H3,(H,35,37)(H,38,39)/b12-8-/t22-,24-,28+,33-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 40 -42.9n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124110
PNG
(US8754105, 17)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)nc(Cl)cc2c1 |r,c:21|
Show InChI InChI=1S/C29H33ClN4O8S/c1-40-19-7-10-22-17(12-19)13-24(30)31-26(22)42-20-14-23-25(35)32-29(27(36)33-43(38,39)21-8-9-21)15-18(29)6-4-2-3-5-11-41-28(37)34(23)16-20/h4,6-7,10,12-13,18,20-21,23H,2-3,5,8-9,11,14-16H2,1H3,(H,32,35)(H,33,36)/b6-4-/t18-,20-,23+,29-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 43 -42.8n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135632
PNG
((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 72n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124109
PNG
(US8754105, 16)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)nc(Cl)cc2c1 |r,c:21|
Show InChI InChI=1S/C26H28ClN3O7/c1-35-17-7-8-19-15(10-17)11-21(27)28-23(19)37-18-12-20-22(31)29-26(24(32)33)13-16(26)6-4-2-3-5-9-36-25(34)30(20)14-18/h4,6-8,10-11,16,18,20H,2-3,5,9,12-14H2,1H3,(H,29,31)(H,32,33)/b6-4-/t16-,18-,20+,26-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 1.00E+3 -34.8n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135631
PNG
(3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...)
Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi; Moderately active

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135631
PNG
(3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...)
Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124108
PNG
(US8754105, 22)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1)-c1ccccc1 |r,c:21|
Show InChI InChI=1S/C32H33N3O7/c1-40-22-12-13-24-26(15-22)33-25(20-9-5-4-6-10-20)17-28(24)42-23-16-27-29(36)34-32(30(37)38)18-21(32)11-7-2-3-8-14-41-31(39)35(27)19-23/h4-7,9-13,15,17,21,23,27H,2-3,8,14,16,18-19H2,1H3,(H,34,36)(H,37,38)/b11-7-/t21-,23-,27+,32-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
 1.07E+3 -34.6n/an/an/an/an/a7.530



Medivir AB; Janssen R&D Ireland

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754105 (2014)


BindingDB Entry DOI: 10.7270/Q2QC0250
More data for this
Ligand-Target Pair