Found 14 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)) | BDBM50167706
((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...)Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C21H18N2O5/c1-12-17(24)14-9-5-6-10-16(14)28-19(12)21(27)23-15(18(25)20(22)26)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H2,22,26)(H,23,27)/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
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
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 mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227403
((S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-met...)Show SMILES Cc1c(O)c2ccccc2nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C21H19N3O4/c1-12-17(23-15-10-6-5-9-14(15)18(12)25)21(28)24-16(19(26)20(22)27)11-13-7-3-2-4-8-13/h2-10,16H,11H2,1H3,(H2,22,27)(H,23,25)(H,24,28)/t16-/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 | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227399
((S)-N-(4-(4-methoxyphenethylamino)-3,4-dioxo-1-phe...)Show SMILES COc1ccc(CCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1 Show InChI InChI=1S/C30H29N3O5/c1-19-26(32-24-11-7-6-10-23(24)27(19)34)29(36)33-25(18-21-8-4-3-5-9-21)28(35)30(37)31-17-16-20-12-14-22(38-2)15-13-20/h3-15,25H,16-18H2,1-2H3,(H,31,37)(H,32,34)(H,33,36)/t25-/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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227401
((S)-N-(4-(3,4-dimethoxybenzylamino)-3,4-dioxo-1-ph...)Show SMILES COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1OC Show InChI InChI=1S/C30H29N3O6/c1-18-26(32-22-12-8-7-11-21(22)27(18)34)29(36)33-23(15-19-9-5-4-6-10-19)28(35)30(37)31-17-20-13-14-24(38-2)25(16-20)39-3/h4-14,16,23H,15,17H2,1-3H3,(H,31,37)(H,32,34)(H,33,36)/t23-/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 | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227395
((S)-N-(3,4-dioxo-4-(phenethylamino)-1-phenylbutan-...)Show SMILES Cc1c(O)c2ccccc2nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H27N3O4/c1-19-25(31-23-15-9-8-14-22(23)26(19)33)28(35)32-24(18-21-12-6-3-7-13-21)27(34)29(36)30-17-16-20-10-4-2-5-11-20/h2-15,24H,16-18H2,1H3,(H,30,36)(H,31,33)(H,32,35)/t24-/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 | 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227394
((S)-N-(4-(4-methoxybenzylamino)-3,4-dioxo-1-phenyl...)Show SMILES COc1ccc(CNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1 Show InChI InChI=1S/C29H27N3O5/c1-18-25(31-23-11-7-6-10-22(23)26(18)33)28(35)32-24(16-19-8-4-3-5-9-19)27(34)29(36)30-17-20-12-14-21(37-2)15-13-20/h3-15,24H,16-17H2,1-2H3,(H,30,36)(H,31,33)(H,32,35)/t24-/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 | 3.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227398
((S)-N-(4-(benzylamino)-3,4-dioxo-1-phenylbutan-2-y...)Show SMILES Cc1c(O)c2ccccc2nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H25N3O4/c1-18-24(30-22-15-9-8-14-21(22)25(18)32)27(34)31-23(16-19-10-4-2-5-11-19)26(33)28(35)29-17-20-12-6-3-7-13-20/h2-15,23H,16-17H2,1H3,(H,29,35)(H,30,32)(H,31,34)/t23-/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 | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227393
((S)-N-(4-(4-fluorobenzylamino)-3,4-dioxo-1-phenylb...)Show SMILES Cc1c(O)c2ccccc2nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C28H24FN3O4/c1-17-24(31-22-10-6-5-9-21(22)25(17)33)27(35)32-23(15-18-7-3-2-4-8-18)26(34)28(36)30-16-19-11-13-20(29)14-12-19/h2-14,23H,15-16H2,1H3,(H,30,36)(H,31,33)(H,32,35)/t23-/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 | 5.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227392
((S)-N-(3,4-dioxo-1-phenyl-4-(2-(pyridin-2-yl)ethyl...)Show SMILES Cc1c(O)c2ccccc2nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccn1 Show InChI InChI=1S/C28H26N4O4/c1-18-24(31-22-13-6-5-12-21(22)25(18)33)27(35)32-23(17-19-9-3-2-4-10-19)26(34)28(36)30-16-14-20-11-7-8-15-29-20/h2-13,15,23H,14,16-17H2,1H3,(H,30,36)(H,31,33)(H,32,35)/t23-/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 | 6.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227402
((S)-N-(3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylami...)Show SMILES Cc1c(O)c2ccccc2nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C27H24N4O4/c1-17-23(30-21-13-6-5-12-20(21)24(17)32)26(34)31-22(15-18-9-3-2-4-10-18)25(33)27(35)29-16-19-11-7-8-14-28-19/h2-14,22H,15-16H2,1H3,(H,29,35)(H,30,32)(H,31,34)/t22-/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 | 7.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227400
((S)-3-methyl-N-(4-(methylamino)-3,4-dioxo-1-phenyl...)Show SMILES CNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1nc2ccccc2c(O)c1C Show InChI InChI=1S/C22H21N3O4/c1-13-18(24-16-11-7-6-10-15(16)19(13)26)21(28)25-17(20(27)22(29)23-2)12-14-8-4-3-5-9-14/h3-11,17H,12H2,1-2H3,(H,23,29)(H,24,26)(H,25,28)/t17-/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 | 8.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227396
((S)-N-(4-(ethylamino)-3,4-dioxo-1-phenylbutan-2-yl...)Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1nc2ccccc2c(O)c1C Show InChI InChI=1S/C23H23N3O4/c1-3-24-23(30)21(28)18(13-15-9-5-4-6-10-15)26-22(29)19-14(2)20(27)16-11-7-8-12-17(16)25-19/h4-12,18H,3,13H2,1-2H3,(H,24,30)(H,25,27)(H,26,29)/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 | 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 mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50227397
((S)-N-(4-(isopropylamino)-3,4-dioxo-1-phenylbutan-...)Show SMILES CC(C)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1nc2ccccc2c(O)c1C Show InChI InChI=1S/C24H25N3O4/c1-14(2)25-24(31)22(29)19(13-16-9-5-4-6-10-16)27-23(30)20-15(3)21(28)17-11-7-8-12-18(17)26-20/h4-12,14,19H,13H2,1-3H3,(H,25,31)(H,26,28)(H,27,30)/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyung Hee University
Curated by ChEMBL
| Assay Description
Inhibition of human mu-calpain |
Bioorg Med Chem Lett 18: 205-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.097
BindingDB Entry DOI: 10.7270/Q2CV4HH3 |
More data for this
Ligand-Target Pair | |
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