Found 5 hits in this display 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 |
Caspase-3
(Homo sapiens (Human)) | BDBM50119222
(2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylami...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20| Show InChI InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 474 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against caspase-3 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50119222
(2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylami...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20| Show InChI InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of caspase-1 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50119222
(2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylami...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20| Show InChI InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against caspase-7 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50119222
(2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylami...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20| Show InChI InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against caspase-8 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50119222
(2-[2-(2-Adamantan-1-yl-4-methyl-phenoxy)-acetylami...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC(=O)OC1O |TLB:24:23:26:18.19.20,THB:22:23:18:26.21.20| Show InChI InChI=1S/C29H40N2O6/c1-16(2)6-22(27(34)31-23-11-26(33)37-28(23)35)30-25(32)15-36-24-5-4-17(3)7-21(24)29-12-18-8-19(13-29)10-20(9-18)14-29/h4-5,7,16,18-20,22-23,28,35H,6,8-15H2,1-3H3,(H,30,32)(H,31,34)/t18?,19?,20?,22-,23-,28?,29?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration required against caspase-6 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |