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-3
(Homo sapiens (Human)) | BDBM50257482
((S)-1-{3-[3-(2-Fluoroethoxy)propoxy]propyl}-5-[1-(...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H31FN2O7S/c1-30-16-17-5-2-10-25(17)33(28,29)18-6-7-20-19(15-18)21(26)22(27)24(20)9-3-11-31-12-4-13-32-14-8-23/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/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 | 9.43E+3 | 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 | |
Caspase-7
(Homo sapiens (Human)) | BDBM50257482
((S)-1-{3-[3-(2-Fluoroethoxy)propoxy]propyl}-5-[1-(...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCOCCCOCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C22H31FN2O7S/c1-30-16-17-5-2-10-25(17)33(28,29)18-6-7-20-19(15-18)21(26)22(27)24(20)9-3-11-31-12-4-13-32-14-8-23/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/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 | 1.94E+4 | 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 | |