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)) | BDBM50256867
((S)-1-(11,11-Difluoroundecyl)-5-[1-(2-methoxymethy...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCCC(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H36F2N2O5S/c1-34-18-19-11-10-16-29(19)35(32,33)20-13-14-22-21(17-20)24(30)25(31)28(22)15-9-7-5-3-2-4-6-8-12-23(26)27/h13-14,17,19,23H,2-12,15-16,18H2,1H3/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 | 66 | 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)) | BDBM50256867
((S)-1-(11,11-Difluoroundecyl)-5-[1-(2-methoxymethy...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCCC(F)F)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H36F2N2O5S/c1-34-18-19-11-10-16-29(19)35(32,33)20-13-14-22-21(17-20)24(30)25(31)28(22)15-9-7-5-3-2-4-6-8-12-23(26)27/h13-14,17,19,23H,2-12,15-16,18H2,1H3/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 | 111 | 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 | |