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)) | BDBM50257299
((S)-4-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCOS(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H30N2O8S2/c1-18-7-9-20(10-8-18)37(32,33)35-15-4-3-13-26-23-12-11-21(16-22(23)24(28)25(26)29)36(30,31)27-14-5-6-19(27)17-34-2/h7-12,16,19H,3-6,13-15,17H2,1-2H3/t19-/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 | 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)) | BDBM50257299
((S)-4-{5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCOS(=O)(=O)c3ccc(C)cc3)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H30N2O8S2/c1-18-7-9-20(10-8-18)37(32,33)35-15-4-3-13-26-23-12-11-21(16-22(23)24(28)25(26)29)36(30,31)27-14-5-6-19(27)17-34-2/h7-12,16,19H,3-6,13-15,17H2,1-2H3/t19-/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 | 56 | 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 | |