Found 18 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50092301
(1-(Benzo[b]thiophene-2-carbonyl)-piperidine-4-carb...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C25H25N3O4S/c26-23(30)22(29)19(14-16-6-2-1-3-7-16)27-24(31)17-10-12-28(13-11-17)25(32)21-15-18-8-4-5-9-20(18)33-21/h1-9,15,17,19H,10-14H2,(H2,26,30)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Cathepsin B
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of human Cathepsin B |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092297
(1-(Naphthalene-2-carbonyl)-piperidine-4-carboxylic...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H27N3O4/c28-25(32)24(31)23(16-18-6-2-1-3-7-18)29-26(33)20-12-14-30(15-13-20)27(34)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,28,32)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092294
(1-(Quinoline-6-carbonyl)-piperidine-4-carboxylic a...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H26N4O4/c27-24(32)23(31)22(15-17-5-2-1-3-6-17)29-25(33)18-10-13-30(14-11-18)26(34)20-8-9-21-19(16-20)7-4-12-28-21/h1-9,12,16,18,22H,10-11,13-15H2,(H2,27,32)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092298
(1-(Naphthalene-2-sulfonyl)-piperidine-4-carboxylic...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H27N3O5S/c27-25(31)24(30)23(16-18-6-2-1-3-7-18)28-26(32)20-12-14-29(15-13-20)35(33,34)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092300
(1-[(E)-(3-Phenyl-acryloyl)]-piperidine-4-carboxyli...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1 |w:25.27| Show InChI InChI=1S/C25H27N3O4/c26-24(31)23(30)21(17-19-9-5-2-6-10-19)27-25(32)20-13-15-28(16-14-20)22(29)12-11-18-7-3-1-4-8-18/h1-12,20-21H,13-17H2,(H2,26,31)(H,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092295
(1-Benzoyl-piperidine-4-carboxylic acid (1-benzyl-2...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O4/c24-21(28)20(27)19(15-16-7-3-1-4-8-16)25-22(29)17-11-13-26(14-12-17)23(30)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H2,24,28)(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092299
(1-(Quinoline-3-carbonyl)-piperidine-4-carboxylic a...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H26N4O4/c27-24(32)23(31)22(14-17-6-2-1-3-7-17)29-25(33)18-10-12-30(13-11-18)26(34)20-15-19-8-4-5-9-21(19)28-16-20/h1-9,15-16,18,22H,10-14H2,(H2,27,32)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092302
(1-(Naphthalene-2-sulfonyl)-piperidine-4-carboxylic...)Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H40N4O6S/c38-31(33(40)34-15-6-16-36-19-21-43-22-20-36)30(23-25-7-2-1-3-8-25)35-32(39)27-13-17-37(18-14-27)44(41,42)29-12-11-26-9-4-5-10-28(26)24-29/h1-5,7-12,24,27,30H,6,13-23H2,(H,34,40)(H,35,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092305
(1-(Naphthalene-2-carbonyl)-piperidine-4-carboxylic...)Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1)C1CCN(CC1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C34H40N4O5/c39-31(33(41)35-15-6-16-37-19-21-43-22-20-37)30(23-25-7-2-1-3-8-25)36-32(40)27-13-17-38(18-14-27)34(42)29-12-11-26-9-4-5-10-28(26)24-29/h1-5,7-12,24,27,30H,6,13-23H2,(H,35,41)(H,36,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092303
(1-[(E)-(3-Phenyl-acryloyl)]-piperidine-4-carboxyli...)Show SMILES CC(C)CC(NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1)C(=O)C(N)=O |w:17.18| Show InChI InChI=1S/C22H29N3O4/c1-15(2)14-18(20(27)21(23)28)24-22(29)17-10-12-25(13-11-17)19(26)9-8-16-6-4-3-5-7-16/h3-9,15,17-18H,10-14H2,1-2H3,(H2,23,28)(H,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50092301
(1-(Benzo[b]thiophene-2-carbonyl)-piperidine-4-carb...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C25H25N3O4S/c26-23(30)22(29)19(14-16-6-2-1-3-7-16)27-24(31)17-10-12-28(13-11-17)25(32)21-15-18-8-4-5-9-20(18)33-21/h1-9,15,17,19H,10-14H2,(H2,26,30)(H,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of human Cathepsin B |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50092297
(1-(Naphthalene-2-carbonyl)-piperidine-4-carboxylic...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H27N3O4/c28-25(32)24(31)23(16-18-6-2-1-3-7-18)29-26(33)20-12-14-30(15-13-20)27(34)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,28,32)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of human Cathepsin B |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092304
(1-((E)-3-Pyridin-4-yl-acryloyl)-piperidine-4-carbo...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)C=Cc1ccncc1 |w:25.27| Show InChI InChI=1S/C24H26N4O4/c25-23(31)22(30)20(16-18-4-2-1-3-5-18)27-24(32)19-10-14-28(15-11-19)21(29)7-6-17-8-12-26-13-9-17/h1-9,12-13,19-20H,10-11,14-16H2,(H2,25,31)(H,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092307
(1-Naphthalen-2-ylmethyl-piperidine-4-carboxylic ac...)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C27H29N3O3/c28-26(32)25(31)24(17-19-6-2-1-3-7-19)29-27(33)22-12-14-30(15-13-22)18-20-10-11-21-8-4-5-9-23(21)16-20/h1-11,16,22,24H,12-15,17-18H2,(H2,28,32)(H,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092306
(1-[(E)-(3-Phenyl-acryloyl)]-piperidine-4-carboxyli...)Show SMILES CCC(NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1)C(=O)C(N)=O |w:15.16| Show InChI InChI=1S/C20H25N3O4/c1-2-16(18(25)19(21)26)22-20(27)15-10-12-23(13-11-15)17(24)9-8-14-6-4-3-5-7-14/h3-9,15-16H,2,10-13H2,1H3,(H2,21,26)(H,22,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50092296
(1-(Naphthalene-2-sulfonyl)-piperidine-4-carboxylic...)Show SMILES CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H31N3O5S/c1-2-29-28(34)26(32)25(18-20-8-4-3-5-9-20)30-27(33)22-14-16-31(17-15-22)37(35,36)24-13-12-21-10-6-7-11-23(21)19-24/h3-13,19,22,25H,2,14-18H2,1H3,(H,29,34)(H,30,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
KNOLL AG
Curated by ChEMBL
| Assay Description Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes |
Bioorg Med Chem Lett 10: 2187-91 (2001)
BindingDB Entry DOI: 10.7270/Q28K78BD |
More data for this Ligand-Target Pair | |