Found 6 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)) | BDBM50200314
((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Binding affinity to human caspase 3 |
J Med Chem 49: 6704-15 (2006)
Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50200314
((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of caspase 3 |
J Med Chem 49: 6704-15 (2006)
Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50200314
((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of caspase 7 |
J Med Chem 49: 6704-15 (2006)
Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50200314
((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of caspase 6 |
J Med Chem 49: 6704-15 (2006)
Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50200314
((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 | PDB MMDB
NCI pathway 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of caspase 1 |
J Med Chem 49: 6704-15 (2006)
Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50200314
((S)-1-(4-(tert-butyldimethylsilyloxy)benzyl)-5-[1-...)Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 Show InChI InChI=1S/C32H38N2O6SSi/c1-32(2,3)42(4,5)40-26-15-13-23(14-16-26)21-33-29-18-17-27(20-28(29)30(35)31(33)36)41(37,38)34-19-9-10-24(34)22-39-25-11-7-6-8-12-25/h6-8,11-18,20,24H,9-10,19,21-22H2,1-5H3/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital of the Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of caspase 8 |
J Med Chem 49: 6704-15 (2006)
Article DOI: 10.1021/jm051217c BindingDB Entry DOI: 10.7270/Q2513XV1 |
More data for this Ligand-Target Pair | |