Found 72 hits with Last Name = 'biazzo' and Initial = 'w' 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 |
|---|
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50031442
(1N-[4-amino(nitroimino)methylamino-1-(1-formyl-3-m...)Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1)C=O |w:12.11| Show InChI InChI=1S/C35H53N7O7/c1-24(2)22-26(23-43)38-32(45)30(19-13-20-37-35(36)40-42(48)49)39-31(44)27(25-14-8-9-15-25)16-7-5-3-4-6-12-21-41-33(46)28-17-10-11-18-29(28)34(41)47/h10-11,17-18,23-27,30H,3-9,12-16,19-22H2,1-2H3,(H,38,45)(H,39,44)(H3,36,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain |
J Med Chem 38: 2276-7 (1995)
Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291219
(CHEMBL151521 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C=O Show InChI InChI=1S/C20H30N2O4/c1-14(2)11-16(12-23)21-18(24)17(20(3,4)5)22-19(25)26-13-15-9-7-6-8-10-15/h6-10,12,14,16-17H,11,13H2,1-5H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291234
(CHEMBL150600 | [(S)-1-((S)-1-Formyl-2-methyl-propy...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C(C)C Show InChI InChI=1S/C19H28N2O4/c1-13(2)10-16(18(23)20-17(11-22)14(3)4)21-19(24)25-12-15-8-6-5-7-9-15/h5-9,11,13-14,16-17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291225
(CHEMBL357595 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C23H35N3O5/c1-15(2)11-19(13-27)25-22(29)20(12-16(3)4)26-21(28)17(5)24-23(30)31-14-18-9-7-6-8-10-18/h6-10,13,15-17,19-20H,11-12,14H2,1-5H3,(H,24,30)(H,25,29)(H,26,28)/t17-,19+,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50084655
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50031440
(1N-[4-amino(nitroimino)methylamino-1-(1-formyl-3-m...)Show SMILES CC(C)CC(NC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C(CCCCCCCCC#N)C1CCCC1)C=O |w:12.11| Show InChI InChI=1S/C28H49N7O5/c1-21(2)19-23(20-36)32-27(38)25(16-12-18-31-28(30)34-35(39)40)33-26(37)24(22-13-9-10-14-22)15-8-6-4-3-5-7-11-17-29/h20-25H,3-16,18-19H2,1-2H3,(H,32,38)(H,33,37)(H3,30,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain |
J Med Chem 38: 2276-7 (1995)
Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291188
(((S)-1-{(R)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylc...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H46N4O6/c1-18(2)13-23(16-34)31-27(36)24(14-19(3)4)33-28(37)25(15-20(5)6)32-26(35)21(7)30-29(38)39-17-22-11-9-8-10-12-22/h8-12,16,18-21,23-25H,13-15,17H2,1-7H3,(H,30,38)(H,31,36)(H,32,35)(H,33,37)/t21-,23-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291222
(CHEMBL423222 | {(S)-1-[(S)-1-(4-Benzyloxy-benzyl)-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O Show InChI InChI=1S/C30H34N2O5/c1-22(2)17-28(32-30(35)37-21-25-11-7-4-8-12-25)29(34)31-26(19-33)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,19,22,26,28H,17-18,20-21H2,1-2H3,(H,31,34)(H,32,35)/t26-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291192
(CHEMBL345337 | [(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H39N3O6/c1-19(2)14-23(17-33)30-27(35)25(15-20(3)4)31-28(36)26(16-21-10-12-24(34)13-11-21)32-29(37)38-18-22-8-6-5-7-9-22/h5-13,17,19-20,23,25-26,34H,14-16,18H2,1-4H3,(H,30,35)(H,31,36)(H,32,37)/t23-,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291236
(CHEMBL356841 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C20H30N2O4/c1-14(2)10-17(12-23)21-19(24)18(11-15(3)4)22-20(25)26-13-16-8-6-5-7-9-16/h5-9,12,14-15,17-18H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291228
(CHEMBL347742 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C=O Show InChI InChI=1S/C20H29N3O6/c1-13(2)9-16(11-24)21-19(25)18(10-14(3)4)22-20(26)29-12-15-5-7-17(8-6-15)23(27)28/h5-8,11,13-14,16,18H,9-10,12H2,1-4H3,(H,21,25)(H,22,26)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291223
(CHEMBL150134 | Naphthalene-2-carboxylic acid {(S)-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1)C=O Show InChI InChI=1S/C29H41N3O4/c1-18(2)13-24(17-33)30-28(35)25(14-19(3)4)32-29(36)26(15-20(5)6)31-27(34)23-12-11-21-9-7-8-10-22(21)16-23/h7-12,16-20,24-26H,13-15H2,1-6H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291218
(CHEMBL2371036 | [(S)-1-(1-Formyl-propylcarbamoyl)-...)Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C18H26N2O4/c1-4-15(11-21)19-17(22)16(10-13(2)3)20-18(23)24-12-14-8-6-5-7-9-14/h5-9,11,13,15-16H,4,10,12H2,1-3H3,(H,19,22)(H,20,23)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291194
((S)-2-Methanesulfonylamino-4-methyl-pentanoic acid...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NS(C)(=O)=O)C=O Show InChI InChI=1S/C13H26N2O4S/c1-9(2)6-11(8-16)14-13(17)12(7-10(3)4)15-20(5,18)19/h8-12,15H,6-7H2,1-5H3,(H,14,17)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50137397
(CHEMBL341014 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291197
(CHEMBL149754 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc12)C=O Show InChI InChI=1S/C27H34N2O4/c1-17(2)13-19(15-30)28-26(31)25(14-18(3)4)29-27(32)33-16-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,15,17-19,24-25H,13-14,16H2,1-4H3,(H,28,31)(H,29,32)/t19-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291226
(CHEMBL151829 | [(S)-1-((S)-1-Cyclohexylmethyl-2-ox...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C=O Show InChI InChI=1S/C23H34N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h4,7-8,11-12,15,17-18,20-21H,3,5-6,9-10,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50142287
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-phenyl...)Show InChI InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was evaluated against recombinant human calpain I |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291187
(CHEMBL151370 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H39N3O5/c1-20(2)15-24(18-33)30-27(34)25(16-21(3)4)31-28(35)26(17-22-11-7-5-8-12-22)32-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t24-,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291205
(CHEMBL358404 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C14H26N2O4/c1-9(2)6-11(8-17)15-13(18)12(7-10(3)4)16-14(19)20-5/h8-12H,6-7H2,1-5H3,(H,15,18)(H,16,19)/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291181
(CHEMBL150976 | {(S)-2-tert-Butoxy-1-[(R)-1-((R)-1-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C27H43N3O6/c1-18(2)13-21(15-31)28-24(32)22(14-19(3)4)29-25(33)23(17-36-27(5,6)7)30-26(34)35-16-20-11-9-8-10-12-20/h8-12,15,18-19,21-23H,13-14,16-17H2,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t21-,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291177
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC sid
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| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291176
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O Show InChI InChI=1S/C20H37N3O4/c1-12(2)8-16(11-24)22-19(26)18(10-14(5)6)23-20(27)17(9-13(3)4)21-15(7)25/h11-14,16-18H,8-10H2,1-7H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17+,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291224
(CHEMBL424142 | {(S)-1-[(S)-1-Formyl-2-(3H-imidazol...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C=O Show InChI InChI=1S/C20H26N4O4/c1-14(2)8-18(24-20(27)28-12-15-6-4-3-5-7-15)19(26)23-17(11-25)9-16-10-21-13-22-16/h3-7,10-11,13-14,17-18H,8-9,12H2,1-2H3,(H,21,22)(H,23,26)(H,24,27)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291207
(3-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C1Cc2ccccc2CN1C(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C30H39N3O5/c1-20(2)14-25(18-34)31-28(35)26(15-21(3)4)32-29(36)27-16-23-12-8-9-13-24(23)17-33(27)30(37)38-19-22-10-6-5-7-11-22/h5-13,18,20-21,25-27H,14-17,19H2,1-4H3,(H,31,35)(H,32,36)/t25-,26-,27?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291209
(CHEMBL151679 | [(S)-1-{(R)-1-[(S)-1-((S)-1-Formyl-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C32H48N6O6/c1-20(2)12-25(17-39)35-29(40)26(13-21(3)4)36-30(41)27(14-22(5)6)37-31(42)28(15-24-16-33-19-34-24)38-32(43)44-18-23-10-8-7-9-11-23/h7-11,16-17,19-22,25-28H,12-15,18H2,1-6H3,(H,33,34)(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t25-,26-,27+,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291198
((R)-2-((S)-2-Acetylamino-propionylamino)-4-methyl-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(C)=O)C=O Show InChI InChI=1S/C17H31N3O4/c1-10(2)7-14(9-21)19-17(24)15(8-11(3)4)20-16(23)12(5)18-13(6)22/h9-12,14-15H,7-8H2,1-6H3,(H,18,22)(H,19,24)(H,20,23)/t12-,14+,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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GoogleScholar
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| CHEMBL
KEGG
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291191
(CHEMBL151176 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291189
(CHEMBL151415 | {(S)-5-Amino-1-[(R)-1-((R)-1-formyl...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C26H42N4O5/c1-18(2)14-21(16-31)28-25(33)23(15-19(3)4)29-24(32)22(12-8-9-13-27)30-26(34)35-17-20-10-6-5-7-11-20/h5-7,10-11,16,18-19,21-23H,8-9,12-15,17,27H2,1-4H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22+,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50470197
(CHEMBL2114122)Show SMILES COC(=O)CCCCCCCC(=O)N[C@@H](CCC\N=C(/N)NS(=O)(=O)c1c(C)c(C)c2OC(C)(C)CCc2c1C)C(=O)NC(CC(C)C)C=O Show InChI InChI=1S/C36H59N5O8S/c1-23(2)21-27(22-42)39-34(45)29(40-30(43)16-12-10-9-11-13-17-31(44)48-8)15-14-20-38-35(37)41-50(46,47)33-25(4)24(3)32-28(26(33)5)18-19-36(6,7)49-32/h22-23,27,29H,9-21H2,1-8H3,(H,39,45)(H,40,43)(H3,37,38,41)/t27?,29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain |
J Med Chem 38: 2276-7 (1995)
Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50421409
(CHEMBL318779)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r| Show InChI InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291186
((S)-4-Benzyloxycarbonylamino-4-[(R)-1-((R)-1-formy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H45N3O7/c1-19(2)15-22(17-33)30-27(36)24(16-20(3)4)31-26(35)23(13-14-25(34)39-29(5,6)7)32-28(37)38-18-21-11-9-8-10-12-21/h8-12,17,19-20,22-24H,13-16,18H2,1-7H3,(H,30,36)(H,31,35)(H,32,37)/t22-,23+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291229
(CHEMBL434278 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C19H28N2O4/c1-13(2)10-16(11-22)20-18(23)17(14(3)4)21-19(24)25-12-15-8-6-5-7-9-15/h5-9,11,13-14,16-17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291213
(CHEMBL151595 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O Show InChI InChI=1S/C28H37N3O5/c1-19(2)15-23(17-32)29-26(33)24(16-21-11-7-5-8-12-21)30-27(34)25(20(3)4)31-28(35)36-18-22-13-9-6-10-14-22/h5-14,17,19-20,23-25H,15-16,18H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)/t23-,24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291215
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H35N3O4/c1-15(2)11-20(24-17(5)28)23(30)26-21(12-16(3)4)22(29)25-19(14-27)13-18-9-7-6-8-10-18/h6-10,14-16,19-21H,11-13H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)/t19-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50137392
(CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C19H28N2O4S/c1-14(2)11-17(18(23)20-16(12-22)9-10-26-3)21-19(24)25-13-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11,13H2,1-3H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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| CHEMBL
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| Article
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291182
(CHEMBL356003 | {(R)-5-[(R)-2-((S)-2-Acetylamino-4-...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C=O Show InChI InChI=1S/C25H46N4O6/c1-16(2)13-20(27-18(5)31)23(33)29-21(14-17(3)4)22(32)28-19(15-30)11-9-10-12-26-24(34)35-25(6,7)8/h15-17,19-21H,9-14H2,1-8H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)/t19-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291195
(CHEMBL150076 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)Show SMILES CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-18(19(24)21-17(13-23)12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291201
(CHEMBL151333 | [(S)-1-((S)-1-Formyl-2,2-dimethyl-p...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C(C)(C)C Show InChI InChI=1S/C20H30N2O4/c1-14(2)11-16(18(24)22-17(12-23)20(3,4)5)21-19(25)26-13-15-9-7-6-8-10-15/h6-10,12,14,16-17H,11,13H2,1-5H3,(H,21,25)(H,22,24)/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291212
((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1)C=O Show InChI InChI=1S/C19H30N2O4S/c1-13(2)10-16(12-22)20-19(23)18(11-14(3)4)21-26(24,25)17-8-6-15(5)7-9-17/h6-9,12-14,16,18,21H,10-11H2,1-5H3,(H,20,23)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291202
((R)-2-((S)-2-Acetylamino-3-tert-butoxy-propionylam...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](COC(C)(C)C)NC(C)=O)C=O Show InChI InChI=1S/C21H39N3O5/c1-13(2)9-16(11-25)23-19(27)17(10-14(3)4)24-20(28)18(22-15(5)26)12-29-21(6,7)8/h11,13-14,16-18H,9-10,12H2,1-8H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50470199
(CHEMBL76284)Show SMILES COC(=O)CCCCCCCC(=O)NC(CCC\N=C(/N)N[N+]([O-])=O)C(=O)NC(CC(C)C)C=O Show InChI InChI=1S/C22H40N6O7/c1-16(2)14-17(15-29)25-21(32)18(10-9-13-24-22(23)27-28(33)34)26-19(30)11-7-5-4-6-8-12-20(31)35-3/h15-18H,4-14H2,1-3H3,(H,25,32)(H,26,30)(H3,23,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain |
J Med Chem 38: 2276-7 (1995)
Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291211
((S)-4-Benzyloxycarbonylamino-4-[(R)-1-((R)-1-formy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C25H37N3O7/c1-16(2)12-19(14-29)26-24(33)21(13-17(3)4)27-23(32)20(10-11-22(30)31)28-25(34)35-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-21H,10-13,15H2,1-4H3,(H,26,33)(H,27,32)(H,28,34)(H,30,31)/t19-,20+,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291185
(CHEMBL422142 | [(1S,2S)-1-((S)-1-Formyl-3-methyl-b...)Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O Show InChI InChI=1S/C20H30N2O4/c1-5-15(4)18(19(24)21-17(12-23)11-14(2)3)22-20(25)26-13-16-9-7-6-8-10-16/h6-10,12,14-15,17-18H,5,11,13H2,1-4H3,(H,21,24)(H,22,25)/t15-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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Similars
| Article
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291193
(CHEMBL151970 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C31H40N4O5/c1-20(2)14-24(18-36)33-29(37)28(16-23-17-32-26-13-9-8-12-25(23)26)34-30(38)27(15-21(3)4)35-31(39)40-19-22-10-6-5-7-11-22/h5-13,17-18,20-21,24,27-28,32H,14-16,19H2,1-4H3,(H,33,37)(H,34,38)(H,35,39)/t24-,27+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291206
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O Show InChI InChI=1S/C20H37N3O4/c1-12(2)8-16(11-24)22-19(26)18(10-14(5)6)23-20(27)17(9-13(3)4)21-15(7)25/h11-14,16-18H,8-10H2,1-7H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291203
(CHEMBL150620 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C29H39N3O5/c1-20(2)15-24(18-33)30-27(34)26(17-22-11-7-5-8-12-22)31-28(35)25(16-21(3)4)32-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t24-,25+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291221
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16+,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
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Similars
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50291232
(CHEMBL357787 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C23H35N3O5/c1-15(2)11-19(13-27)25-21(28)17(5)24-22(29)20(12-16(3)4)26-23(30)31-14-18-9-7-6-8-10-18/h6-10,13,15-17,19-20H,11-12,14H2,1-5H3,(H,24,29)(H,25,28)(H,26,30)/t17-,19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity evaluated against recombinant human calpain 1 |
Bioorg Med Chem Lett 7: 539-544 (1997)
Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50470198
(CHEMBL73602)Show SMILES COC(=O)CCCCCCCC(=O)NC(CCC\N=C(/N)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)NC(CC(C)C)C=O Show InChI InChI=1S/C32H53N5O8S/c1-21(2)18-25(20-38)35-31(41)26(36-28(39)15-11-9-8-10-12-16-29(40)45-7)14-13-17-34-32(33)37-46(42,43)30-22(3)19-27(44-6)23(4)24(30)5/h19-21,25-26H,8-18H2,1-7H3,(H,35,41)(H,36,39)(H3,33,34,37) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain |
J Med Chem 38: 2276-7 (1995)
Article DOI: 10.1021/jm00013a002
BindingDB Entry DOI: 10.7270/Q2V127JJ |
More data for this
Ligand-Target Pair | |
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