Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50032257 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326300
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326298
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50084684
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326303
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326304
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326304
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326303
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326300
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50084684
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326299
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326298
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326306
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326302
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 286 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326301
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 438 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326301
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326301
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326302
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326305
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 711 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326299
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326303
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326306
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 844 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326300
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r| Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326299
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r| Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50326307
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine erythrocyte calpain 1 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326302
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326304
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326298
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r| Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326305
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50326307
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of porcine kidney calpain 2 |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50084684
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326306
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326307
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50326305
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1 | PDB
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Reactome pathway
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 4.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human liver cathepsin B |
J Med Chem 53: 6326-36 (2010)
Article DOI: 10.1021/jm901221v
BindingDB Entry DOI: 10.7270/Q2KS6RR2 |
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Ligand-Target Pair | |
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