Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50034165 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Calpain-1 catalytic subunit
(Rattus norvegicus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358131
(CHEMBL1923954)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358138
(CHEMBL1923961)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358132
(CHEMBL1923955)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358137
(CHEMBL1923960)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358140
(CHEMBL1923963)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358134
(CHEMBL1923957)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358133
(CHEMBL1923956)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358139
(CHEMBL1923962)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358153
(CHEMBL1921830)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H37N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,18,20,23,25-26H,6-7,10,15-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358136
(CHEMBL1923959)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C=O |r| 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-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358152
(CHEMBL1921829)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H35N3O6/c1-19(2)25-27(34)29-22(17-32)10-6-7-15-36-23-13-11-20(12-14-23)16-24(26(33)31-25)30-28(35)37-18-21-8-4-3-5-9-21/h3-5,8-9,11-14,17,19,22,24-25H,6-7,10,15-16,18H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t22-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358142
(CHEMBL1923965)Show SMILES CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C17H25FN2O4S/c1-4-5-16(17(22)19-14(11-21)10-12(2)3)20-25(23,24)15-8-6-13(18)7-9-15/h6-9,11-12,14,16,20H,4-5,10H2,1-3H3,(H,19,22)/t14-,16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358155
(CHEMBL1921832)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H39N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,19,21,24,26-27H,4,7-8,11,16-18,20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358143
(CHEMBL1923966)Show SMILES CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C18H27FN2O4S/c1-4-5-6-17(18(23)20-15(12-22)11-13(2)3)21-26(24,25)16-9-7-14(19)8-10-16/h7-10,12-13,15,17,21H,4-6,11H2,1-3H3,(H,20,23)/t15-,17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358148
(CHEMBL1921825)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H32FN3O6S/c1-17(2)24-26(33)28-20(16-31)5-3-4-14-36-21-10-6-18(7-11-21)15-23(25(32)29-24)30-37(34,35)22-12-8-19(27)9-13-22/h6-13,16-17,20,23-24,30H,3-5,14-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,23-,24-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358157
(CHEMBL1921834)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H37N3O6S/c1-20(2)26-28(35)30-23(17-33)19-39-15-7-6-14-37-24-12-10-21(11-13-24)16-25(27(34)32-26)31-29(36)38-18-22-8-4-3-5-9-22/h3-5,8-13,17,20,23,25-26H,6-7,14-16,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)/t23-,25+,26+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358135
(CHEMBL1923958)Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)C=O |r| Show InChI InChI=1S/C14H19FN2O4S/c1-9(2)13(14(19)16-10(3)8-18)17-22(20,21)12-6-4-11(15)5-7-12/h4-10,13,17H,1-3H3,(H,16,19)/t10-,13-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358154
(CHEMBL1921831)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H39N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,20,23,25-26,33H,6-7,10,15-19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358141
(CHEMBL1923964)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C=O |r| Show InChI InChI=1S/C12H24N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h7-11,14H,6H2,1-5H3,(H,13,16)/t10-,11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358150
(CHEMBL1921827)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H35N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,17,19,22,24-25H,6,9,14-16,18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358158
(CHEMBL1921835)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H39N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,18,21,24,26-27H,6-7,14-17,19-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358156
(CHEMBL1921833)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H41N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,21,24,26-27,34H,4,7-8,11,16-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358149
(CHEMBL1921826)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34FN3O6S2/c1-18(2)25-27(34)29-21(16-32)17-38-14-4-3-13-37-22-9-5-19(6-10-22)15-24(26(33)30-25)31-39(35,36)23-11-7-20(28)8-12-23/h5-12,16,18,21,24-25,31H,3-4,13-15,17H2,1-2H3,(H,29,34)(H,30,33)/t21-,24+,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358147
(CHEMBL1921824)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30FN3O6S/c1-16(2)23-25(32)27-19(15-30)4-3-13-35-20-9-5-17(6-10-20)14-22(24(31)28-23)29-36(33,34)21-11-7-18(26)8-12-21/h5-12,15-16,19,22-23,29H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,31)/t19-,22-,23-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358144
(CHEMBL1923967)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C(C)C)N(C)S(=O)(=O)c1ccc(F)cc1)C=O |r| Show InChI InChI=1S/C18H27FN2O4S/c1-12(2)10-15(11-22)20-18(23)17(13(3)4)21(5)26(24,25)16-8-6-14(19)7-9-16/h6-9,11-13,15,17H,10H2,1-5H3,(H,20,23)/t15-,17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358159
(CHEMBL1921836)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H41N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,21,24,26-27,34H,6-7,14-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50358151
(CHEMBL1921828)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C28H37N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,19,22,24-25,32H,6,9,14-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358145
(CHEMBL1923968)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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Rattus norvegicus) | BDBM50358146
(CHEMBL1923969)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-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury
Curated by ChEMBL
| Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis |
J Med Chem 54: 7503-22 (2011)
Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 |
More data for this Ligand-Target Pair | |