Found 16 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)) | BDBM50101321
(CHEMBL299750 | [(S)-1-((S)-1-Benzyl-2-benzyloxycar...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C31H35N3O6/c1-22(2)18-27(33-31(38)39-20-24-14-8-4-9-15-24)29(36)32-26(19-23-12-6-3-7-13-23)28(35)30(37)34-40-21-25-16-10-5-11-17-25/h3-17,22,26-27H,18-21H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104576
(CHEMBL89668 | [(S)-1-((S)-1-Benzyl-2-methoxycarbam...)Show SMILES CONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H31N3O6/c1-17(2)14-21(27-25(32)34-16-19-12-8-5-9-13-19)23(30)26-20(22(29)24(31)28-33-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104586
(CHEMBL316418 | [(R)-1-((S)-1-Benzyl-2-benzyloxycar...)Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C30H33N3O6/c1-21(2)26(32-30(37)38-19-23-14-8-4-9-15-23)28(35)31-25(18-22-12-6-3-7-13-22)27(34)29(36)33-39-20-24-16-10-5-11-17-24/h3-17,21,25-26H,18-20H2,1-2H3,(H,31,35)(H,32,37)(H,33,36)/t25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104579
(CHEMBL313895 | {(S)-1-[(S)-1-((S)-1-Benzyl-2-benzy...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C37H46N4O7/c1-25(2)20-31(39-35(44)32(21-26(3)4)40-37(46)47-23-28-16-10-6-11-17-28)34(43)38-30(22-27-14-8-5-9-15-27)33(42)36(45)41-48-24-29-18-12-7-13-19-29/h5-19,25-26,30-32H,20-24H2,1-4H3,(H,38,43)(H,39,44)(H,40,46)(H,41,45)/t30-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104587
(CHEMBL89771 | [(S)-1-((S)-1-Benzyl-2-oxo-2-pentafl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C31H30F5N3O6/c1-17(2)13-22(38-31(43)44-15-19-11-7-4-8-12-19)29(41)37-21(14-18-9-5-3-6-10-18)28(40)30(42)39-45-16-20-23(32)25(34)27(36)26(35)24(20)33/h3-12,17,21-22H,13-16H2,1-2H3,(H,37,41)(H,38,43)(H,39,42)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50101317
(CHEMBL301598 | [(S)-1-((S)-1-Benzyl-2-ethoxycarbam...)Show SMILES CCONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H33N3O6/c1-4-35-29-25(32)23(30)21(16-19-11-7-5-8-12-19)27-24(31)22(15-18(2)3)28-26(33)34-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104585
(CHEMBL316135 | {(S)-1-[(S)-1-((S)-1-Benzyl-2-metho...)Show SMILES CONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N4O7/c1-20(2)16-25(28(37)32-24(27(36)30(39)35-41-5)18-22-12-8-6-9-13-22)33-29(38)26(17-21(3)4)34-31(40)42-19-23-14-10-7-11-15-23/h6-15,20-21,24-26H,16-19H2,1-5H3,(H,32,37)(H,33,38)(H,34,40)(H,35,39)/t24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104577
(CHEMBL419311 | {(S)-1-[(S)-1-Benzyl-2-(4-methyl-cy...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOC1CCC(C)CC1 |wU:4.4,wD:19.19,(8.36,5.09,;8.96,3.66,;10.51,3.66,;7.86,2.55,;7.86,1.01,;6.53,.23,;5.2,1.01,;5.2,2.55,;3.87,.23,;2.53,1.01,;1.19,.23,;-.16,1.02,;-1.49,.25,;-1.49,-1.29,;-.13,-2.07,;1.19,-1.29,;9.2,.23,;9.2,-1.31,;10.55,1.01,;11.88,.23,;11.88,-1.31,;12.96,-2.39,;14.43,-1.99,;15.53,-3.06,;15.13,-4.56,;13.64,-4.94,;12.56,-3.87,;13.22,1.01,;13.22,2.55,;14.55,.23,;14.55,-1.31,;15.88,1.01,;17.22,.23,;18.57,1.01,;18.55,2.55,;19.91,3.31,;21.24,2.54,;22.57,3.31,;21.23,1,;19.9,.23,)| Show InChI InChI=1S/C31H41N3O6/c1-21(2)18-27(33-31(38)39-20-24-12-8-5-9-13-24)29(36)32-26(19-23-10-6-4-7-11-23)28(35)30(37)34-40-25-16-14-22(3)15-17-25/h4-13,21-22,25-27H,14-20H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/t22?,25?,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104581
(CHEMBL85296 | [(S)-1-((S)-1-Benzyloxyaminooxalyl-p...)Show SMILES CCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C27H35N3O6/c1-4-5-16-22(24(31)26(33)30-36-18-21-14-10-7-11-15-21)28-25(32)23(19(2)3)29-27(34)35-17-20-12-8-6-9-13-20/h6-15,19,22-23H,4-5,16-18H2,1-3H3,(H,28,32)(H,29,34)(H,30,33)/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
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104584
(CHEMBL441262 | [(S)-1-((S)-1-Benzyl-2-tert-butoxyc...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOC(C)(C)C Show InChI InChI=1S/C28H37N3O6/c1-19(2)16-23(30-27(35)36-18-21-14-10-7-11-15-21)25(33)29-22(17-20-12-8-6-9-13-20)24(32)26(34)31-37-28(3,4)5/h6-15,19,22-23H,16-18H2,1-5H3,(H,29,33)(H,30,35)(H,31,34)/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
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104583
((S)-N-Benzyloxy-3-((R)-3-benzyloxy-2-methanesulfon...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C28H31N3O7S/c1-39(35,36)31-25(20-37-18-22-13-7-3-8-14-22)27(33)29-24(17-21-11-5-2-6-12-21)26(32)28(34)30-38-19-23-15-9-4-10-16-23/h2-16,24-25,31H,17-20H2,1H3,(H,29,33)(H,30,34)/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104582
((R)-N-((S)-1-Benzylcarbamoyl-2-phenyl-ethyl)-3-ben...)Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H31N3O5S/c1-36(33,34)30-25(20-35-19-23-15-9-4-10-16-23)27(32)29-24(17-21-11-5-2-6-12-21)26(31)28-18-22-13-7-3-8-14-22/h2-16,24-25,30H,17-20H2,1H3,(H,28,31)(H,29,32)/t24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104580
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)Show SMILES CCONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O Show InChI InChI=1S/C23H29N3O7S/c1-3-33-25-23(29)21(27)19(14-17-10-6-4-7-11-17)24-22(28)20(26-34(2,30)31)16-32-15-18-12-8-5-9-13-18/h4-13,19-20,26H,3,14-16H2,1-2H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104578
((R)-3-Benzyloxy-N-((S)-1-ethylcarbamoyl-2-phenyl-e...)Show SMILES CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O Show InChI InChI=1S/C22H29N3O5S/c1-3-23-21(26)19(14-17-10-6-4-7-11-17)24-22(27)20(25-31(2,28)29)16-30-15-18-12-8-5-9-13-18/h4-13,19-20,25H,3,14-16H2,1-2H3,(H,23,26)(H,24,27)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104589
((S)-N-Benzyloxy-3-((R)-3-benzyloxy-2-methanesulfon...)Show SMILES COC[C@H](NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C23H29N3O8S/c1-32-15-19(21(27)23(29)25-34-14-18-11-7-4-8-12-18)24-22(28)20(26-35(2,30)31)16-33-13-17-9-5-3-6-10-17/h3-12,19-20,26H,13-16H2,1-2H3,(H,24,28)(H,25,29)/t19-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50104588
(CHEMBL315578 | N-[(S)-1-((S)-1-Ethoxyaminooxalyl-p...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NOCC Show InChI InChI=1S/C25H31N3O5/c1-3-5-16-20(22(29)25(32)28-33-4-2)26-24(31)21(17-18-12-8-6-9-13-18)27-23(30)19-14-10-7-11-15-19/h6-15,20-21H,3-5,16-17H2,1-2H3,(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
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Calpain 1 |
Bioorg Med Chem Lett 11: 2615-7 (2001)
BindingDB Entry DOI: 10.7270/Q2J38RVZ |
More data for this
Ligand-Target Pair | |
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