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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167708
(3-Ethyl-4-oxo-4H-chromene-2-carboxylic acid ((S)-1...)Show SMILES CCc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C22H20N2O5/c1-2-14-18(25)15-10-6-7-11-17(15)29-20(14)22(28)24-16(19(26)21(23)27)12-13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H2,23,27)(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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167707
(3-Methyl-4-oxo-4H-chromene-2-carboxylic acid ((S)-...)Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H26N2O5/c1-19-25(32)22-14-8-9-15-24(22)36-27(19)29(35)31-23(18-21-12-6-3-7-13-21)26(33)28(34)30-17-16-20-10-4-2-5-11-20/h2-15,23H,16-18H2,1H3,(H,30,34)(H,31,35)/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 | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167705
(3-Methyl-4-oxo-4H-chromene-2-carboxylic acid ((S)-...)Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H24N2O5/c1-18-24(31)21-14-8-9-15-23(21)35-26(18)28(34)30-22(16-19-10-4-2-5-11-19)25(32)27(33)29-17-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,29,33)(H,30,34)/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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167711
(7-Methyl-8-oxo-2,3-dihydro-8H-1,4,5-trioxa-anthrac...)Show SMILES Cc1c(oc2cc3OCCOc3cc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O Show InChI InChI=1S/C23H20N2O7/c1-12-19(26)14-10-17-18(31-8-7-30-17)11-16(14)32-21(12)23(29)25-15(20(27)22(24)28)9-13-5-3-2-4-6-13/h2-6,10-11,15H,7-9H2,1H3,(H2,24,28)(H,25,29)/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 | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167715
(6-Methyl-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromene-...)Show SMILES Cc1c(oc2cc3OCCc3cc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H26N2O6/c1-18-26(33)22-15-21-12-13-37-24(21)16-25(22)38-28(18)30(36)32-23(14-19-8-4-2-5-9-19)27(34)29(35)31-17-20-10-6-3-7-11-20/h2-11,15-16,23H,12-14,17H2,1H3,(H,31,35)(H,32,36)/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 | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167709
(7-Methyl-8-oxo-2,3-dihydro-8H-1,4,5-trioxa-anthrac...)Show SMILES Cc1c(oc2cc3OCCOc3cc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C31H28N2O7/c1-19-27(34)22-17-25-26(39-15-14-38-25)18-24(22)40-29(19)31(37)33-23(16-21-10-6-3-7-11-21)28(35)30(36)32-13-12-20-8-4-2-5-9-20/h2-11,17-18,23H,12-16H2,1H3,(H,32,36)(H,33,37)/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 | 4.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167704
(3-Methyl-4-oxo-4H-chromene-2-carboxylic acid ((S)-...)Show SMILES CC(C)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1oc2ccccc2c(=O)c1C Show InChI InChI=1S/C24H24N2O5/c1-14(2)25-23(29)21(28)18(13-16-9-5-4-6-10-16)26-24(30)22-15(3)20(27)17-11-7-8-12-19(17)31-22/h4-12,14,18H,13H2,1-3H3,(H,25,29)(H,26,30)/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 | 5.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167710
(3-Methyl-4-oxo-4H-chromene-2-carboxylic acid [(S)-...)Show SMILES Cc1c(oc2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C27H29N3O6/c1-18-23(31)20-9-5-6-10-22(20)36-25(18)27(34)29-21(17-19-7-3-2-4-8-19)24(32)26(33)28-11-12-30-13-15-35-16-14-30/h2-10,21H,11-17H2,1H3,(H,28,33)(H,29,34)/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 | 8.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167712
(4-Oxo-4H-chromene-2-carboxylic acid ((S)-1-benzyl-...)Show SMILES NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C20H16N2O5/c21-19(25)18(24)14(10-12-6-2-1-3-7-12)22-20(26)17-11-15(23)13-8-4-5-9-16(13)27-17/h1-9,11,14H,10H2,(H2,21,25)(H,22,26)/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 | 8.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167714
(7-Methyl-8-oxo-2,3-dihydro-8H-1,4,5-trioxa-anthrac...)Show SMILES Cc1c(oc2cc3OCCOc3cc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C29H31N3O8/c1-18-25(33)20-16-23-24(39-14-13-38-23)17-22(20)40-27(18)29(36)31-21(15-19-5-3-2-4-6-19)26(34)28(35)30-7-8-32-9-11-37-12-10-32/h2-6,16-17,21H,7-15H2,1H3,(H,30,35)(H,31,36)/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50167713
(7-Methyl-8-oxo-2,3-dihydro-8H-1,4,5-trioxa-anthrac...)Show SMILES CC(C)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1oc2cc3OCCOc3cc2c(=O)c1C Show InChI InChI=1S/C26H26N2O7/c1-14(2)27-25(31)23(30)18(11-16-7-5-4-6-8-16)28-26(32)24-15(3)22(29)17-12-20-21(13-19(17)35-24)34-10-9-33-20/h4-8,12-14,18H,9-11H2,1-3H3,(H,27,31)(H,28,32)/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science & Technology
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human plasma mu-calpain |
Bioorg Med Chem Lett 15: 2857-60 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.095
BindingDB Entry DOI: 10.7270/Q2Z31Z5J |
More data for this
Ligand-Target Pair | |
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