BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 491.4
BDBM22114
Wt: 518.5
BDBM22117
Wt: 523.5
BDBM22131
Wt: 459.4
BDBM22132
Wt: 485.4
BDBM22133
Wt: 496.5
BDBM22134
Wt: 519.5
BDBM50378277
Wt: 484.5
BDBM50378284
Wt: 470.4
BDBM50378260
Wt: 469.4
BDBM50378264
Wt: 315.3
BDBM50378249
Wt: 484.5
BDBM50378250
Wt: 520.5
BDBM50378251
Wt: 486.5
BDBM50378252
Wt: 468.5
BDBM50378255
Displayed 1 to 15 (of 73 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 25 hits in this display   
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
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378260
PNG
(CHEMBL577594)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCOCC1
Show InChI InChI=1S/C19H30N6O8/c1-4-33-16(28)6-5-15(27)25(11-14(20)26)23-18(30)13(3)21-17(29)12(2)22-19(31)24-7-9-32-10-8-24/h5-6,12-13H,4,7-11H2,1-3H3,(H2,20,26)(H,21,29)(H,22,31)(H,23,30)/t12-,13+/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.230n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Trichomonas vaginalis G3)
BDBM22114
PNG
(aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(...)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N5O8/c1-4-34-19(30)11-10-18(29)27(12-17(23)28)26-21(32)15(3)24-20(31)14(2)25-22(33)35-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,31)(H,25,33)(H,26,32)/t14-,15-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22114
PNG
(aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(...)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N5O8/c1-4-34-19(30)11-10-18(29)27(12-17(23)28)26-21(32)15(3)24-20(31)14(2)25-22(33)35-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,31)(H,25,33)(H,26,32)/t14-,15-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378264
PNG
(CHEMBL577371)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCNCC1
Show InChI InChI=1S/C19H31N7O7/c1-4-33-16(29)6-5-15(28)26(11-14(20)27)24-18(31)13(3)22-17(30)12(2)23-19(32)25-9-7-21-8-10-25/h5-6,12-13,21H,4,7-11H2,1-3H3,(H2,20,27)(H,22,30)(H,23,32)(H,24,31)/t12-,13+/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378255
PNG
(CHEMBL573776)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCCC1
Show InChI InChI=1S/C20H32N6O7/c1-4-33-17(29)9-8-16(28)26(12-15(21)27)24-19(31)14(3)22-18(30)13(2)23-20(32)25-10-6-5-7-11-25/h8-9,13-14H,4-7,10-12H2,1-3H3,(H2,21,27)(H,22,30)(H,23,32)(H,24,31)/t13-,14+/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378284
PNG
(CHEMBL573758)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCCC1
Show InChI InChI=1S/C20H32N6O8/c1-4-33-19(31)15-14(34-15)18(30)26(10-13(21)27)24-17(29)12(3)22-16(28)11(2)23-20(32)25-8-6-5-7-9-25/h11-12,14-15H,4-10H2,1-3H3,(H2,21,27)(H,22,28)(H,23,32)(H,24,29)/t11-,12+,14+,15+/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Schistosoma mansoni)
BDBM22114
PNG
(aza-peptide Michael acceptor, 7a | ethyl (2E)-4-[(...)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N5O8/c1-4-34-19(30)11-10-18(29)27(12-17(23)28)26-21(32)15(3)24-20(31)14(2)25-22(33)35-13-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H2,23,28)(H,24,31)(H,25,33)(H,26,32)/t14-,15-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 31n/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378277
PNG
(CHEMBL573507)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C24H33N5O8/c1-5-36-20(32)12-11-19(31)29(13-18(25)30)28-23(34)21(15(2)3)27-22(33)16(4)26-24(35)37-14-17-9-7-6-8-10-17/h6-12,15-16,21H,5,13-14H2,1-4H3,(H2,25,30)(H,26,35)(H,27,33)(H,28,34)/t16-,21+/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378250
PNG
(CHEMBL577178)
Show SMILES C[C@H](NC(=O)N1CCCCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N6O5/c1-17(26-24(35)28-12-5-2-6-13-28)23(34)27-30(16-20(25)31)22(33)10-9-21(32)29-14-11-18-7-3-4-8-19(18)15-29/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H2,25,31)(H,26,35)(H,27,34)/t17-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378252
PNG
(CHEMBL573772)
Show SMILES C[C@H](NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N6O6/c1-16(25-23(34)27-10-12-35-13-11-27)22(33)26-29(15-19(24)30)21(32)7-6-20(31)28-9-8-17-4-2-3-5-18(17)14-28/h2-7,16H,8-15H2,1H3,(H2,24,30)(H,25,34)(H,26,33)/t16-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378249
PNG
(CHEMBL574642)
Show SMILES CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C13H21N3O6/c1-5-21-11(19)7-6-10(18)16(8-9(14)17)15-12(20)22-13(2,3)4/h6-7H,5,8H2,1-4H3,(H2,14,17)(H,15,20)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Trichomonas vaginalis G3)
BDBM22117
PNG
(aza-peptide Michael acceptor, 5a | benzyl N-[(1S)-...)
Show SMILES CCN(CC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H34N6O7/c1-5-29(6-2)20(32)12-13-21(33)30(14-19(25)31)28-23(35)17(4)26-22(34)16(3)27-24(36)37-15-18-10-8-7-9-11-18/h7-13,16-17H,5-6,14-15H2,1-4H3,(H2,25,31)(H,26,34)(H,27,36)(H,28,35)/t16-,17-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Schistosoma mansoni)
BDBM22134
PNG
(aza-peptide Michael acceptor, 7f | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1cccnc1
Show InChI InChI=1S/C24H28N6O6/c1-16(28-24(35)36-15-19-7-4-3-5-8-19)22(33)27-17(2)23(34)29-30(14-20(25)31)21(32)11-10-18-9-6-12-26-13-18/h3-13,16-17H,14-15H2,1-2H3,(H2,25,31)(H,27,33)(H,28,35)(H,29,34)/t16-,17-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Schistosoma mansoni)
BDBM22133
PNG
(aza-peptide Michael acceptor, 7e | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1ccco1
Show InChI InChI=1S/C23H27N5O7/c1-15(26-23(33)35-14-17-7-4-3-5-8-17)21(31)25-16(2)22(32)27-28(13-19(24)29)20(30)11-10-18-9-6-12-34-18/h3-12,15-16H,13-14H2,1-2H3,(H2,24,29)(H,25,31)(H,26,33)(H,27,32)/t15-,16-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM50378251
PNG
(CHEMBL582900)
Show SMILES COc1ccc(CNC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)N2CCOCC2)cc1OC
Show InChI InChI=1S/C23H32N6O8/c1-15(26-23(34)28-8-10-37-11-9-28)22(33)27-29(14-19(24)30)21(32)7-6-20(31)25-13-16-4-5-17(35-2)18(12-16)36-3/h4-7,12,15H,8-11,13-14H2,1-3H3,(H2,24,30)(H,25,31)(H,26,34)(H,27,33)/t15-/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Ixodes ricinus asparaginyl endopeptidases


J Med Chem 52: 7192-210 (2009)


Article DOI: 10.1021/jm900849h
BindingDB Entry DOI: 10.7270/Q20C4WQ3
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22117
PNG
(aza-peptide Michael acceptor, 5a | benzyl N-[(1S)-...)
Show SMILES CCN(CC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H34N6O7/c1-5-29(6-2)20(32)12-13-21(33)30(14-19(25)31)28-23(35)17(4)26-22(34)16(3)27-24(36)37-15-18-10-8-7-9-11-18/h7-13,16-17H,5-6,14-15H2,1-4H3,(H2,25,31)(H,26,34)(H,27,36)(H,28,35)/t16-,17-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22133
PNG
(aza-peptide Michael acceptor, 7e | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1ccco1
Show InChI InChI=1S/C23H27N5O7/c1-15(26-23(33)35-14-17-7-4-3-5-8-17)21(31)25-16(2)22(32)27-28(13-19(24)29)20(30)11-10-18-9-6-12-34-18/h3-12,15-16H,13-14H2,1-2H3,(H2,24,29)(H,25,31)(H,26,33)(H,27,32)/t15-,16-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Trichomonas vaginalis G3)
BDBM22132
PNG
(aza-peptide Michael acceptor, 7d | benzyl N-[(1S)-...)
Show SMILES CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N5O6/c1-4-5-7-12-19(29)27(13-18(23)28)26-21(31)16(3)24-20(30)15(2)25-22(32)33-14-17-10-8-6-9-11-17/h4-12,15-16H,13-14H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/t15-,16-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Trichomonas vaginalis G3)
BDBM22134
PNG
(aza-peptide Michael acceptor, 7f | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1cccnc1
Show InChI InChI=1S/C24H28N6O6/c1-16(28-24(35)36-15-19-7-4-3-5-8-19)22(33)27-17(2)23(34)29-30(14-20(25)31)21(32)11-10-18-9-6-12-26-13-18/h3-13,16-17H,14-15H2,1-2H3,(H2,25,31)(H,27,33)(H,28,35)(H,29,34)/t16-,17-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Trichomonas vaginalis G3)
BDBM22131
PNG
(aza-peptide Michael acceptor, 7c | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1
Show InChI InChI=1S/C26H29N5O7/c1-17(29-26(37)38-16-19-9-5-3-6-10-19)24(35)28-18(2)25(36)30-31(15-22(27)33)23(34)14-13-21(32)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,37)(H,30,36)/t17-,18-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22134
PNG
(aza-peptide Michael acceptor, 7f | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1cccnc1
Show InChI InChI=1S/C24H28N6O6/c1-16(28-24(35)36-15-19-7-4-3-5-8-19)22(33)27-17(2)23(34)29-30(14-20(25)31)21(32)11-10-18-9-6-12-26-13-18/h3-13,16-17H,14-15H2,1-2H3,(H2,25,31)(H,27,33)(H,28,35)(H,29,34)/t16-,17-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Ixodes ricinus)
BDBM22131
PNG
(aza-peptide Michael acceptor, 7c | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1
Show InChI InChI=1S/C26H29N5O7/c1-17(29-26(37)38-16-19-9-5-3-6-10-19)24(35)28-18(2)25(36)30-31(15-22(27)33)23(34)14-13-21(32)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,37)(H,30,36)/t17-,18-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/a25



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Schistosoma mansoni)
BDBM22132
PNG
(aza-peptide Michael acceptor, 7d | benzyl N-[(1S)-...)
Show SMILES CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H29N5O6/c1-4-5-7-12-19(29)27(13-18(23)28)26-21(31)16(3)24-20(30)15(2)25-22(32)33-14-17-10-8-6-9-11-17/h4-12,15-16H,13-14H2,1-3H3,(H2,23,28)(H,24,30)(H,25,32)(H,26,31)/t15-,16-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Schistosoma mansoni)
BDBM22131
PNG
(aza-peptide Michael acceptor, 7c | benzyl N-[(1S)-...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1
Show InChI InChI=1S/C26H29N5O7/c1-17(29-26(37)38-16-19-9-5-3-6-10-19)24(35)28-18(2)25(36)30-31(15-22(27)33)23(34)14-13-21(32)20-11-7-4-8-12-20/h3-14,17-18H,15-16H2,1-2H3,(H2,27,33)(H,28,35)(H,29,37)(H,30,36)/t17-,18-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair
Asparaginyl Endopeptidase (AE)


(Schistosoma mansoni)
BDBM22117
PNG
(aza-peptide Michael acceptor, 5a | benzyl N-[(1S)-...)
Show SMILES CCN(CC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C24H34N6O7/c1-5-29(6-2)20(32)12-13-21(33)30(14-19(25)31)28-23(35)17(4)26-22(34)16(3)27-24(36)37-15-18-10-8-7-9-11-18/h7-13,16-17H,5-6,14-15H2,1-4H3,(H2,25,31)(H,26,34)(H,27,36)(H,28,35)/t16-,17-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a6.822



Georgia Institute of Technology



Assay Description
AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors...


J Med Chem 51: 2816-32 (2008)


Article DOI: 10.1021/jm701311r
BindingDB Entry DOI: 10.7270/Q2KK9937
More data for this
Ligand-Target Pair