Found 13 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)) | 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 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249628
((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...)Show SMILES Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C17H17N3O4/c1-10-7-8-13(21)20-14(10)17(24)19-12(15(22)16(18)23)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H2,18,23)(H,19,24)(H,20,21)/t12-/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 | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249620
((S)-N-(4-(4-methoxybenzylamino)-3,4-dioxo-1-phenyl...)Show SMILES COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2[nH]c(=O)ccc2C)cc1 |r| Show InChI InChI=1S/C25H25N3O5/c1-16-8-13-21(29)28-22(16)24(31)27-20(14-17-6-4-3-5-7-17)23(30)25(32)26-15-18-9-11-19(33-2)12-10-18/h3-13,20H,14-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)/t20-/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 | 6.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249635
((S)-N-(4-(4-methoxyphenethylamino)-3,4-dioxo-1-phe...)Show SMILES COc1ccc(CCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2[nH]c(=O)ccc2C)cc1 |r| Show InChI InChI=1S/C26H27N3O5/c1-17-8-13-22(30)29-23(17)25(32)28-21(16-19-6-4-3-5-7-19)24(31)26(33)27-15-14-18-9-11-20(34-2)12-10-18/h3-13,21H,14-16H2,1-2H3,(H,27,33)(H,28,32)(H,29,30)/t21-/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 | 6.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249634
((S)-N-(3,4-dioxo-4-(phenethylamino)-1-phenylbutan-...)Show SMILES Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C25H25N3O4/c1-17-12-13-21(29)28-22(17)24(31)27-20(16-19-10-6-3-7-11-19)23(30)25(32)26-15-14-18-8-4-2-5-9-18/h2-13,20H,14-16H2,1H3,(H,26,32)(H,27,31)(H,28,29)/t20-/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 | 7.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249632
((S)-N-(4-(4-fluorobenzylamino)-3,4-dioxo-1-phenylb...)Show SMILES Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22FN3O4/c1-15-7-12-20(29)28-21(15)23(31)27-19(13-16-5-3-2-4-6-16)22(30)24(32)26-14-17-8-10-18(25)11-9-17/h2-12,19H,13-14H2,1H3,(H,26,32)(H,27,31)(H,28,29)/t19-/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 | 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249622
((S)-N-(3,4-dioxo-1-phenyl-4-(2-(pyridin-2-yl)ethyl...)Show SMILES Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccn1 |r| Show InChI InChI=1S/C24H24N4O4/c1-16-10-11-20(29)28-21(16)23(31)27-19(15-17-7-3-2-4-8-17)22(30)24(32)26-14-12-18-9-5-6-13-25-18/h2-11,13,19H,12,14-15H2,1H3,(H,26,32)(H,27,31)(H,28,29)/t19-/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 | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249621
((S)-N-(4-(3,4-dimethoxybenzylamino)-3,4-dioxo-1-ph...)Show SMILES COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2[nH]c(=O)ccc2C)cc1OC |r| Show InChI InChI=1S/C26H27N3O6/c1-16-9-12-22(30)29-23(16)25(32)28-19(13-17-7-5-4-6-8-17)24(31)26(33)27-15-18-10-11-20(34-2)21(14-18)35-3/h4-12,14,19H,13,15H2,1-3H3,(H,27,33)(H,28,32)(H,29,30)/t19-/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 | 3.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249630
((S)-N-(4-(ethylamino)-3,4-dioxo-1-phenylbutan-2-yl...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]c(=O)ccc1C |r| Show InChI InChI=1S/C19H21N3O4/c1-3-20-19(26)17(24)14(11-13-7-5-4-6-8-13)21-18(25)16-12(2)9-10-15(23)22-16/h4-10,14H,3,11H2,1-2H3,(H,20,26)(H,21,25)(H,22,23)/t14-/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 | 4.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249619
((S)-N-(4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-y...)Show SMILES Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H23N3O4/c1-16-12-13-20(28)27-21(16)23(30)26-19(14-17-8-4-2-5-9-17)22(29)24(31)25-15-18-10-6-3-7-11-18/h2-13,19H,14-15H2,1H3,(H,25,31)(H,26,30)(H,27,28)/t19-/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 | 6.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249633
((S)-N-(3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylami...)Show SMILES Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C23H22N4O4/c1-15-10-11-19(28)27-20(15)22(30)26-18(13-16-7-3-2-4-8-16)21(29)23(31)25-14-17-9-5-6-12-24-17/h2-12,18H,13-14H2,1H3,(H,25,31)(H,26,30)(H,27,28)/t18-/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 | 8.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249629
((S)-3-methyl-N-(4-(methylamino)-3,4-dioxo-1-phenyl...)Show SMILES CNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]c(=O)ccc1C |r| Show InChI InChI=1S/C18H19N3O4/c1-11-8-9-14(22)21-15(11)17(24)20-13(16(23)18(25)19-2)10-12-6-4-3-5-7-12/h3-9,13H,10H2,1-2H3,(H,19,25)(H,20,24)(H,21,22)/t13-/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 | 9.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50249631
((S)-N-(4-(isopropylamino)-3,4-dioxo-1-phenylbutan-...)Show SMILES CC(C)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]c(=O)ccc1C |r| Show InChI InChI=1S/C20H23N3O4/c1-12(2)21-20(27)18(25)15(11-14-7-5-4-6-8-14)22-19(26)17-13(3)9-10-16(24)23-17/h4-10,12,15H,11H2,1-3H3,(H,21,27)(H,22,26)(H,23,24)/t15-/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocytes mu-calpain by spectrofluorimeter |
Eur J Med Chem 44: 1331-4 (2009)
Article DOI: 10.1016/j.ejmech.2008.02.023
BindingDB Entry DOI: 10.7270/Q2B27W6H |
More data for this
Ligand-Target Pair | |
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