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)) | BDBM50200313
((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 Show InChI InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/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
| 12.6 | 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)) | BDBM50200313
((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 Show InChI InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/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 | 25.5 | 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 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)) | BDBM50200313
((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 Show InChI InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/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 | 29.2 | 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-1
(Homo sapiens (Human)) | BDBM50200313
((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 Show InChI InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/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)) | BDBM50200313
((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 Show InChI InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/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 | |
Caspase-6
(Homo sapiens (Human)) | BDBM50200313
((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)Show SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1 Show InChI InChI=1S/C21H21N2O5S.3C4H9.Sn/c1-28-14-16-8-5-11-23(16)29(26,27)17-9-10-19-18(12-17)20(24)21(25)22(19)13-15-6-3-2-4-7-15;3*1-3-4-2;/h3-4,6-7,9-10,12,16H,5,8,11,13-14H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/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 | |