Found 7 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)) | BDBM50149195
(1-Benzyl-2,3-dihydro-1H-indole-5-carboxylic acid [...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2N(Cc3ccccc3)CCc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C26H33N3O4/c1-17(2)14-22(25(31)27-21-11-13-33-26(21)32)28-24(30)20-8-9-23-19(15-20)10-12-29(23)16-18-6-4-3-5-7-18/h3-9,15,17,21-22,26,32H,10-14,16H2,1-2H3,(H,27,31)(H,28,30)/t21-,22-,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on human calpain 1 |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50223715
(CHEMBL3706732)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C23H27N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,16,18,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t16-,18-,23?/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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on human calpain 1 |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50223717
(CHEMBL3706727)Show SMILES CC(C)C[C@H](NC(=O)c1cccc2Sc3ccccc3Nc12)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C23H27N3O4S/c1-13(2)12-17(22(28)25-16-10-11-30-23(16)29)26-21(27)14-6-5-9-19-20(14)24-15-7-3-4-8-18(15)31-19/h3-9,13,16-17,23-24,29H,10-12H2,1-2H3,(H,25,28)(H,26,27)/t16-,17-,23?/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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on calpain in C6 glial cells |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50149199
(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic...)Show SMILES CC(C)C[C@H](NC(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C24H36N2O6/c1-12(2)11-18(21(28)25-17-8-10-31-22(17)29)26-23(30)24(6)9-7-16-15(5)19(27)13(3)14(4)20(16)32-24/h12,17-18,22,27,29H,7-11H2,1-6H3,(H,25,28)(H,26,30)/t17-,18-,22?,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on human calpain 1 |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50223716
(CHEMBL3706728)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1OC(C)=O Show InChI InChI=1S/C25H29N3O5S/c1-14(2)12-20(24(31)27-18-10-11-32-25(18)33-15(3)29)28-23(30)16-8-9-22-19(13-16)26-17-6-4-5-7-21(17)34-22/h4-9,13-14,18,20,25-26H,10-12H2,1-3H3,(H,27,31)(H,28,30)/t18-,20-,25?/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 | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on human calpain 1 |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50223715
(CHEMBL3706732)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C23H27N3O4S/c1-13(2)11-18(22(28)25-16-9-10-30-23(16)29)26-21(27)14-7-8-20-17(12-14)24-15-5-3-4-6-19(15)31-20/h3-8,12-13,16,18,23-24,29H,9-11H2,1-2H3,(H,25,28)(H,26,27)/t16-,18-,23?/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 | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on calpain 1 in C6 glial cells |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50149195
(1-Benzyl-2,3-dihydro-1H-indole-5-carboxylic acid [...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2N(Cc3ccccc3)CCc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C26H33N3O4/c1-17(2)14-22(25(31)27-21-11-13-33-26(21)32)28-24(30)20-8-9-23-19(15-20)10-12-29(23)16-18-6-4-3-5-7-18/h3-9,15,17,21-22,26,32H,10-14,16H2,1-2H3,(H,27,31)(H,28,30)/t21-,22-,26?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Henri Beaufour
Curated by ChEMBL
| Assay Description
Inhibitory activity against on calpain in C6 glial cells |
Bioorg Med Chem Lett 14: 3825-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.105
BindingDB Entry DOI: 10.7270/Q2NK3DH6 |
More data for this
Ligand-Target Pair | |
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