Found 86 hits with Last Name = 'inoue' and Initial = 'j' 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 |
|---|
Peptide deformylase, mitochondrial
(Homo sapiens (Human)) | BDBM50089194
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards Peptide deformylase |
Bioorg Med Chem Lett 13: 3273-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15MQ |
More data for this
Ligand-Target Pair | |
Peptide deformylase, mitochondrial
(Homo sapiens (Human)) | BDBM50089194
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...)Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration required against peptide deformylase (PDF) |
Bioorg Med Chem Lett 13: 3273-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15MQ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124010
(2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-me...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124017
(CHEMBL168909 | N-(1-Formyl-3-methyl-butyl)-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C=O Show InChI InChI=1S/C21H28N2O4S/c1-14(2)11-18(13-24)22-21(25)20(15(3)4)23-28(26,27)19-10-9-16-7-5-6-8-17(16)12-19/h5-10,12-15,18,20,23H,11H2,1-4H3,(H,22,25)/t18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124024
(2-(4-Chloro-benzenesulfonylamino)-N-[1-formyl-2-(1...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O Show InChI InChI=1S/C22H24ClN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124012
(2-(4-Chloro-benzenesulfonylamino)-N-(1-formyl-2-ph...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124022
(CHEMBL169307 | N-(1-Formyl-2-phenyl-ethyl)-3-methy...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C=O Show InChI InChI=1S/C24H26N2O4S/c1-17(2)23(24(28)25-21(16-27)14-18-8-4-3-5-9-18)26-31(29,30)22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15-17,21,23,26H,14H2,1-2H3,(H,25,28)/t21-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124019
(CHEMBL169551 | N-(1-Formyl-2-phenyl-ethyl)-3-methy...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O4S/c1-15(2)20(23-28(26,27)19-11-9-16(3)10-12-19)21(25)22-18(14-24)13-17-7-5-4-6-8-17/h4-12,14-15,18,20,23H,13H2,1-3H3,(H,22,25)/t18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189833
((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...)Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189833
((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...)Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50114340
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/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
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124018
(2-(4-Fluoro-benzenesulfonylamino)-N-[1-formyl-2-(1...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O Show InChI InChI=1S/C22H24FN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124023
(2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-2-ph...)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H23FN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124015
(CHEMBL168965 | N-(1-Formyl-3-methyl-butyl)-3-methy...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C)C=O Show InChI InChI=1S/C18H28N2O4S/c1-12(2)10-15(11-21)19-18(22)17(13(3)4)20-25(23,24)16-8-6-14(5)7-9-16/h6-9,11-13,15,17,20H,10H2,1-5H3,(H,19,22)/t15-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124014
(2-(4-Chloro-benzenesulfonylamino)-N-(1-formyl-3-me...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C=O Show InChI InChI=1S/C17H25ClN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50114340
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain |
Bioorg Med Chem Lett 12: 1603-6 (2002)
BindingDB Entry DOI: 10.7270/Q20K27WS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50114340
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50124010
(2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-me...)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
Inhibitory activity against Cathepsin B |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189828
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/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
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50263559
(((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-...)Show SMILES COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney m-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50263560
(2-methoxyethyl (S)-1-((S)-4-(cyclopropylamino)-3,4...)Show SMILES COCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C23H33N3O6/c1-15(2)13-19(26-23(30)32-12-11-31-3)21(28)25-18(14-16-7-5-4-6-8-16)20(27)22(29)24-17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney m-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50263560
(2-methoxyethyl (S)-1-((S)-4-(cyclopropylamino)-3,4...)Show SMILES COCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C23H33N3O6/c1-15(2)13-19(26-23(30)32-12-11-31-3)21(28)25-18(14-16-7-5-4-6-8-16)20(27)22(29)24-17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50263561
(2-(2-(2-methoxyethoxy)ethoxy)ethyl (S)-1-((S)-4-(c...)Show SMILES COCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C27H41N3O8/c1-19(2)17-23(30-27(34)38-16-15-37-14-13-36-12-11-35-3)25(32)29-22(18-20-7-5-4-6-8-20)24(31)26(33)28-21-9-10-21/h4-8,19,21-23H,9-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t22-,23-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney m-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189825
((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124016
(2-(4-Fluoro-benzenesulfonylamino)-4-methyl-pentano...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1)C=O Show InChI InChI=1S/C18H27FN2O4S/c1-12(2)9-15(11-22)20-18(23)17(10-13(3)4)21-26(24,25)16-7-5-14(19)6-8-16/h5-8,11-13,15,17,21H,9-10H2,1-4H3,(H,20,23)/t15-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189825
((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189835
((2S)-2-((((4-fluorophenyl)amino)thioxomethyl)amino...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(F)cc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C17H24FN3O3S/c1-10(2)9-14(15(22)20-13-7-8-24-16(13)23)21-17(25)19-12-5-3-11(18)4-6-12/h3-6,10,13-14,16,23H,7-9H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-,14-,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189822
((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...)Show SMILES CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-12(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-11-13-6-4-3-5-7-13/h3-7,12,14-15,17,23H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50263559
(((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-...)Show SMILES COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50263613
(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethyl (S)-1...)Show SMILES COCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H45N3O9/c1-21(2)19-25(32-29(36)41-18-17-40-16-15-39-14-13-38-12-11-37-3)27(34)31-24(20-22-7-5-4-6-8-22)26(33)28(35)30-23-9-10-23/h4-8,21,23-25H,9-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney m-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189834
((2S)-2-((((3-cyanophenyl)amino)thioxomethyl)amino)...)Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(c1)C#N)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H24N4O3S/c1-11(2)8-15(16(23)21-14-6-7-25-17(14)24)22-18(26)20-13-5-3-4-12(9-13)10-19/h3-5,9,11,14-15,17,24H,6-8H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189832
((2S)-4-methyl-2-((((4-methylphenyl)amino)thioxomet...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(C)cc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-13-6-4-12(3)5-7-13/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189831
((2S)-4-methyl-2-((((3-methylphenyl)amino)thioxomet...)Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(C)c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-11(2)9-15(16(22)20-14-7-8-24-17(14)23)21-18(25)19-13-6-4-5-12(3)10-13/h4-6,10-11,14-15,17,23H,7-9H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50114336
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-{(S)-1-[(2...)Show SMILES CC(C)C[C@@H](CNNCC=O)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C19H31FN4O4S/c1-13(2)11-16(12-22-21-9-10-25)23-19(26)18(14(3)4)24-29(27,28)17-7-5-15(20)6-8-17/h5-8,10,13-14,16,18,21-22,24H,9,11-12H2,1-4H3,(H,23,26)/t16-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain |
Bioorg Med Chem Lett 12: 1603-6 (2002)
BindingDB Entry DOI: 10.7270/Q20K27WS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189835
((2S)-2-((((4-fluorophenyl)amino)thioxomethyl)amino...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(F)cc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C17H24FN3O3S/c1-10(2)9-14(15(22)20-13-7-8-24-16(13)23)21-17(25)19-12-5-3-11(18)4-6-12/h3-6,10,13-14,16,23H,7-9H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-,14-,16?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50263558
(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)e...)Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney m-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50263561
(2-(2-(2-methoxyethoxy)ethoxy)ethyl (S)-1-((S)-4-(c...)Show SMILES COCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C27H41N3O8/c1-19(2)17-23(30-27(34)38-16-15-37-14-13-36-12-11-35-3)25(32)29-22(18-20-7-5-4-6-8-20)24(31)26(33)28-21-9-10-21/h4-8,19,21-23H,9-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189828
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189827
((2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amin...)Show SMILES COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1 Show InChI InChI=1S/C18H27N3O4S/c1-11(2)10-15(16(22)20-14-8-9-25-17(14)23)21-18(26)19-12-4-6-13(24-3)7-5-12/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,26)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50263613
(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethyl (S)-1...)Show SMILES COCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C29H45N3O9/c1-21(2)19-25(32-29(36)41-18-17-40-16-15-39-14-13-38-12-11-37-3)27(34)31-24(20-22-7-5-4-6-8-22)26(33)28(35)30-23-9-10-23/h4-8,21,23-25H,9-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)/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
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189827
((2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amin...)Show SMILES COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1 Show InChI InChI=1S/C18H27N3O4S/c1-11(2)10-15(16(22)20-14-8-9-25-17(14)23)21-18(26)19-12-4-6-13(24-3)7-5-12/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,26)/t14-,15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189830
((2S)-4-methyl-2-((((2-methylphenyl)amino)thioxomet...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)19-14-8-9-24-17(14)23)21-18(25)20-13-7-5-4-6-12(13)3/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,19,22)(H2,20,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189822
((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...)Show SMILES CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-12(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-11-13-6-4-3-5-7-13/h3-7,12,14-15,17,23H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189830
((2S)-4-methyl-2-((((2-methylphenyl)amino)thioxomet...)Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)19-14-8-9-24-17(14)23)21-18(25)20-13-7-5-4-6-12(13)3/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,19,22)(H2,20,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50189834
((2S)-2-((((3-cyanophenyl)amino)thioxomethyl)amino)...)Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(c1)C#N)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H24N4O3S/c1-11(2)8-15(16(23)21-14-6-7-25-17(14)24)22-18(26)20-13-5-3-4-12(9-13)10-19/h3-5,9,11,14-15,17,24H,6-8H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50124021
(2-(4-Fluoro-benzenesulfonylamino)-5-methyl-hexanoi...)Show SMILES CC(C)CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](CC(C)C)C=O Show InChI InChI=1S/C19H29FN2O4S/c1-13(2)5-10-18(19(24)21-16(12-23)11-14(3)4)22-27(25,26)17-8-6-15(20)7-9-17/h6-9,12-14,16,18,22H,5,10-11H2,1-4H3,(H,21,24)/t16-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine mu-calpain. |
J Med Chem 46: 868-71 (2003)
Article DOI: 10.1021/jm0201924
BindingDB Entry DOI: 10.7270/Q2TB168Z |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Sus scrofa) | BDBM50189831
((2S)-4-methyl-2-((((3-methylphenyl)amino)thioxomet...)Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(C)c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C18H27N3O3S/c1-11(2)9-15(16(22)20-14-7-8-24-17(14)23)21-18(25)19-13-6-4-5-12(3)10-13/h4-6,10-11,14-15,17,23H,7-9H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of porcein kidney m calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50114342
((E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluoroph...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(=O)CN(C)C |w:24.25| Show InChI InChI=1S/C21H34FN5O4S/c1-14(2)11-17(12-23-25-19(28)13-27(5)6)24-21(29)20(15(3)4)26-32(30,31)18-9-7-16(22)8-10-18/h7-10,12,14-15,17,20,26H,11,13H2,1-6H3,(H,24,29)(H,25,28)/t17-,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
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu calpain |
J Med Chem 49: 3926-32 (2006)
Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50114342
((E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluoroph...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(=O)CN(C)C |w:24.25| Show InChI InChI=1S/C21H34FN5O4S/c1-14(2)11-17(12-23-25-19(28)13-27(5)6)24-21(29)20(15(3)4)26-32(30,31)18-9-7-16(22)8-10-18/h7-10,12,14-15,17,20,26H,11,13H2,1-6H3,(H,24,29)(H,25,28)/t17-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain |
Bioorg Med Chem Lett 12: 1603-6 (2002)
BindingDB Entry DOI: 10.7270/Q20K27WS |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50263558
(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)e...)Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 5174-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS |
More data for this
Ligand-Target Pair | |
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