Found 2 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-7
(Homo sapiens (Human)) | BDBM50256797
((S)-3-{3-[5-(1-(2-Methoxymethylpyrrolidinyl)sulfon...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C21H30N2O9S2/c1-30-15-16-6-3-10-23(16)34(28,29)17-7-8-19-18(14-17)20(24)21(25)22(19)9-4-11-31-12-5-13-32-33(2,26)27/h7-8,14,16H,3-6,9-13,15H2,1-2H3/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048 BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50256797
((S)-3-{3-[5-(1-(2-Methoxymethylpyrrolidinyl)sulfon...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOS(C)(=O)=O)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C21H30N2O9S2/c1-30-15-16-6-3-10-23(16)34(28,29)17-7-8-19-18(14-17)20(24)21(25)22(19)9-4-11-31-12-5-13-32-33(2,26)27/h7-8,14,16H,3-6,9-13,15H2,1-2H3/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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048 BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this Ligand-Target Pair | |