Found 35 hits of ic50 for UniProtKB: P04632 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179750
((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpentanami...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m0/s1 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179749
((S)-2-(2-(2-(10H-phenothiazin-2-yloxy)acetamido)ac...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C26H32N4O6S/c1-15(2)11-20(25(33)30-18-9-10-35-26(18)34)29-23(31)13-27-24(32)14-36-16-7-8-22-19(12-16)28-17-5-3-4-6-21(17)37-22/h3-8,12,15,18,20,26,28,34H,9-11,13-14H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/t18-,20-,26?/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286446
(CHEMBL341222 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O Show InChI InChI=1S/C23H28N2O5/c1-16(2)12-21(25-23(29)30-15-18-6-4-3-5-7-18)22(28)24-19(14-26)13-17-8-10-20(27)11-9-17/h3-11,14,16,19,21,27H,12-13,15H2,1-2H3,(H,24,28)(H,25,29)/t19-,21-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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| Article
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286452
(CHEMBL340020 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O Show InChI InChI=1S/C22H26N2O5/c1-15(2)20(24-22(28)29-14-17-6-4-3-5-7-17)21(27)23-18(13-25)12-16-8-10-19(26)11-9-16/h3-11,13,15,18,20,26H,12,14H2,1-2H3,(H,23,27)(H,24,28)/t18-,20-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179745
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C27H34N4O6S/c1-15(2)12-21(26(34)30-19-10-11-36-27(19)35)31-25(33)16(3)28-24(32)14-37-17-8-9-23-20(13-17)29-18-6-4-5-7-22(18)38-23/h4-9,13,15-16,19,21,27,29,35H,10-12,14H2,1-3H3,(H,28,32)(H,30,34)(H,31,33)/t16-,19-,21-,27?/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286449
(CHEMBL338859 | {(S)-1-[(S)-1-(4-Methoxy-benzyl)-2-...)Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C=O)cc1 Show InChI InChI=1S/C23H28N2O5/c1-16(2)21(25-23(28)30-15-18-7-5-4-6-8-18)22(27)24-19(14-26)13-17-9-11-20(29-3)12-10-17/h4-12,14,16,19,21H,13,15H2,1-3H3,(H,24,27)(H,25,28)/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 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
Reactome pathway
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antibodypedia
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CHEMBL
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| Article
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179747
((S)-2-((2S,3S)-2-(2-(10H-phenothiazin-2-yloxy)acet...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)O)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C28H36N4O7S/c1-15(2)12-21(26(35)30-19-10-11-38-28(19)37)31-27(36)25(16(3)33)32-24(34)14-39-17-8-9-23-20(13-17)29-18-6-4-5-7-22(18)40-23/h4-9,13,15-16,19,21,25,28-29,33,37H,10-12,14H2,1-3H3,(H,30,35)(H,31,36)(H,32,34)/t16?,19-,21-,25-,28?/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50014577
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50073850
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179743
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C27H34N4O7S/c1-15(2)11-20(25(34)30-18-9-10-37-27(18)36)31-26(35)21(13-32)29-24(33)14-38-16-7-8-23-19(12-16)28-17-5-3-4-6-22(17)39-23/h3-8,12,15,18,20-21,27-28,32,36H,9-11,13-14H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t18-,20-,21-,27?/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286453
(CHEMBL419423 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O Show InChI InChI=1S/C23H28N2O5/c1-3-16(2)21(25-23(29)30-15-18-7-5-4-6-8-18)22(28)24-19(14-26)13-17-9-11-20(27)12-10-17/h4-12,14,16,19,21,27H,3,13,15H2,1-2H3,(H,24,28)(H,25,29)/t16?,19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179744
((S)-4-Methyl-2-[(S)-4-methyl-2-(2-10H-phenothiazin...)Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C30H40N4O5S/c1-17(2)13-23(28(36)34-24(14-18(3)4)29(37)33-21-11-12-39-30(21)38)32-27(35)16-19-9-10-26-22(15-19)31-20-7-5-6-8-25(20)40-26/h5-10,15,17-18,21,23-24,30-31,38H,11-14,16H2,1-4H3,(H,32,35)(H,33,37)(H,34,36)/t21-,23-,24-,30?/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179741
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C29H38N4O6S/c1-16(2)13-22(27(35)31-20-11-12-38-29(20)37)32-28(36)26(17(3)4)33-25(34)15-39-18-9-10-24-21(14-18)30-19-7-5-6-8-23(19)40-24/h5-10,14,16-17,20,22,26,29-30,37H,11-13,15H2,1-4H3,(H,31,35)(H,32,36)(H,33,34)/t20-,22-,26-,29?/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179738
(CHEMBL203244 | N-((S)-1-((S)-1-((3S)-2-hydroxy-tet...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C29H38N4O5S/c1-16(2)13-22(28(36)33-23(14-17(3)4)27(35)31-20-11-12-38-29(20)37)32-26(34)18-9-10-25-21(15-18)30-19-7-5-6-8-24(19)39-25/h5-10,15-17,20,22-23,29-30,37H,11-14H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t20-,22-,23-,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179746
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C28H36N4O6S/c1-4-18(26(34)32-22(13-16(2)3)27(35)31-20-11-12-37-28(20)36)30-25(33)15-38-17-9-10-24-21(14-17)29-19-7-5-6-8-23(19)39-24/h5-10,14,16,18,20,22,28-29,36H,4,11-13,15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/t18-,20-,22-,28?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286454
(CHEMBL129657 | [(S)-1-((S)-1-Formyl-2-naphthalen-1...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C=O Show InChI InChI=1S/C26H28N2O4/c1-18(2)24(28-26(31)32-17-19-9-4-3-5-10-19)25(30)27-22(16-29)15-21-13-8-12-20-11-6-7-14-23(20)21/h3-14,16,18,22,24H,15,17H2,1-2H3,(H,27,30)(H,28,31)/t22-,24-/m0/s1 | PDB
Reactome pathway
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| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286444
(CHEMBL339000 | [(S)-1-((S)-1-Formyl-3-phenyl-propy...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O4/c1-17(2)21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-13-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286455
(CHEMBL128775 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)Show SMILES CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C24H30N2O4/c1-24(2,3)15-21(26-23(29)30-17-19-12-8-5-9-13-19)22(28)25-20(16-27)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15,17H2,1-3H3,(H,25,28)(H,26,29)/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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PC sid
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| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286445
(CHEMBL127613 | [((S)-1-Benzyl-2-oxo-ethylcarbamoyl...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H24N2O4/c28-17-22(16-19-10-4-1-5-11-19)26-24(29)23(21-14-8-3-9-15-21)27-25(30)31-18-20-12-6-2-7-13-20/h1-15,17,22-23H,16,18H2,(H,26,29)(H,27,30)/t22-,23?/m0/s1 | PDB
Reactome pathway
KEGG
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| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179739
((S)-4-Methyl-2-{(S)-4-methyl-2-[2-(10H-phenothiazi...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C30H40N4O6S/c1-17(2)13-23(28(36)34-24(14-18(3)4)29(37)33-21-11-12-39-30(21)38)32-27(35)16-40-19-9-10-26-22(15-19)31-20-7-5-6-8-25(20)41-26/h5-10,15,17-18,21,23-24,30-31,38H,11-14,16H2,1-4H3,(H,32,35)(H,33,37)(H,34,36)/t21-,23-,24-,30?/m0/s1 | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179754
((S)-2-(2-(2-(10H-phenothiazin-2-yloxy)acetamido)-2...)Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C28H36N4O6S/c1-16(2)13-21(25(34)30-19-11-12-37-26(19)35)31-27(36)28(3,4)32-24(33)15-38-17-9-10-23-20(14-17)29-18-7-5-6-8-22(18)39-23/h5-10,14,16,19,21,26,29,35H,11-13,15H2,1-4H3,(H,30,34)(H,31,36)(H,32,33)/t19-,21-,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286443
(CHEMBL128776 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4/c1-15(21-20(25)26-14-17-10-6-3-7-11-17)19(24)22-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,15,18H,12,14H2,1H3,(H,21,25)(H,22,24)/t15-,18-/m0/s1 | PDB
Reactome pathway
KEGG
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| Article
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179748
((S)-4-methyl-2-[(S)-4-methyl-2-(3-10H-phenothiazin...)Show SMILES CC(C)C[C@H](NC(=O)CCc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C31H42N4O5S/c1-18(2)15-24(29(37)35-25(16-19(3)4)30(38)34-22-13-14-40-31(22)39)33-28(36)12-10-20-9-11-27-23(17-20)32-21-7-5-6-8-26(21)41-27/h5-9,11,17-19,22,24-25,31-32,39H,10,12-16H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t22-,24-,25-,31?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179753
((S)-4-Methyl-2-{(S)-2-[2-(10H-phenothiazin-2-yloxy...)Show SMILES CCC[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C29H38N4O6S/c1-4-7-20(27(35)33-23(14-17(2)3)28(36)32-21-12-13-38-29(21)37)31-26(34)16-39-18-10-11-25-22(15-18)30-19-8-5-6-9-24(19)40-25/h5-6,8-11,15,17,20-21,23,29-30,37H,4,7,12-14,16H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t20-,21-,23-,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179740
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)c1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C32H36N4O6S/c1-19(2)16-25(30(38)34-23-14-15-41-32(23)40)35-31(39)29(20-8-4-3-5-9-20)36-28(37)18-42-21-12-13-27-24(17-21)33-22-10-6-7-11-26(22)43-27/h3-13,17,19,23,25,29,32-33,40H,14-16,18H2,1-2H3,(H,34,38)(H,35,39)(H,36,37)/t23-,25-,29-,32?/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286456
(CHEMBL129458 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C27H28N2O4/c30-19-24(18-22-12-6-2-7-13-22)28-26(31)25(17-16-21-10-4-1-5-11-21)29-27(32)33-20-23-14-8-3-9-15-23/h1-15,19,24-25H,16-18,20H2,(H,28,31)(H,29,32)/t24-,25-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179751
((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C30H40N4O6S/c1-17(2)14-22(27(36)32-20-12-13-39-29(20)38)33-28(37)26(30(3,4)5)34-25(35)16-40-18-10-11-24-21(15-18)31-19-8-6-7-9-23(19)41-24/h6-11,15,17,20,22,26,29,31,38H,12-14,16H2,1-5H3,(H,32,36)(H,33,37)(H,34,35)/t20-,22-,26+,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 354 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286450
(CHEMBL128135 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O4/c29-18-23(16-20-10-4-1-5-11-20)27-25(30)24(17-21-12-6-2-7-13-21)28-26(31)32-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H,27,30)(H,28,31)/t23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286451
(CHEMBL129823 | [1-((S)-1-Benzyl-2-oxo-ethylcarbamo...)Show SMILES CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O4/c1-23(2,3)20(25-22(28)29-16-18-12-8-5-9-13-18)21(27)24-19(15-26)14-17-10-6-4-7-11-17/h4-13,15,19-20H,14,16H2,1-3H3,(H,24,27)(H,25,28)/t19-,20?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179752
((S)-2-((R)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C29H38N4O6S/c1-16(2)13-22(27(35)31-20-11-12-38-29(20)37)32-28(36)26(17(3)4)33-25(34)15-39-18-9-10-24-21(14-18)30-19-7-5-6-8-23(19)40-24/h5-10,14,16-17,20,22,26,29-30,37H,11-13,15H2,1-4H3,(H,31,35)(H,32,36)(H,33,34)/t20-,22-,26+,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 553 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50179742
((3S)-3-((S)-4-methyl-2-((S)-4-methyl-2-(10H-phenot...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1OC(C)=O Show InChI InChI=1S/C31H40N4O6S/c1-17(2)14-24(34-28(37)20-10-11-27-23(16-20)32-21-8-6-7-9-26(21)42-27)30(39)35-25(15-18(3)4)29(38)33-22-12-13-40-31(22)41-19(5)36/h6-11,16-18,22,24-25,31-32H,12-15H2,1-5H3,(H,33,38)(H,34,37)(H,35,39)/t22-,24-,25-,31?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 905 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibition of isolated human calpain1 |
Bioorg Med Chem Lett 16: 1586-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.036
BindingDB Entry DOI: 10.7270/Q2T15367 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286447
(CHEMBL2370670 | [1-(2-Formyl-pyrrolidine-1-carbony...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C=O |r| Show InChI InChI=1S/C18H24N2O4/c1-13(2)16(17(22)20-10-6-9-15(20)11-21)19-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15-16H,6,9-10,12H2,1-2H3,(H,19,23)/t15-,16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50286448
(CHEMBL127663 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C30H28N2O4/c33-20-26(18-22-10-3-1-4-11-22)31-29(34)28(32-30(35)36-21-23-12-5-2-6-13-23)19-25-16-9-15-24-14-7-8-17-27(24)25/h1-17,20,26,28H,18-19,21H2,(H,31,34)(H,32,35)/t26-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay |
Bioorg Med Chem Lett 5: 393-398 (1995)
Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1 |
More data for this
Ligand-Target Pair | |
Calpain small subunit 1/1 catalytic subunit
(Homo sapiens (Human)) | BDBM50069792
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)Show SMILES CCCC[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/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-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CV Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Calpain I |
Bioorg Med Chem Lett 8: 209-14 (1999)
BindingDB Entry DOI: 10.7270/Q2XK8DQ8 |
More data for this
Ligand-Target Pair | |
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