Found 4 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)) | BDBM50160984
((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-[1,2,4...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Show InChI InChI=1S/C24H29N7O5S/c1-2-19(31-11-9-27-22(24(31)36)26-8-10-30-16-25-15-28-30)23(35)29-18(12-21(33)34)20(32)14-37-13-17-6-4-3-5-7-17/h3-7,9,11,15-16,18-19H,2,8,10,12-14H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50160984
((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-[1,2,4...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Show InChI InChI=1S/C24H29N7O5S/c1-2-19(31-11-9-27-22(24(31)36)26-8-10-30-16-25-15-28-30)23(35)29-18(12-21(33)34)20(32)14-37-13-17-6-4-3-5-7-17/h3-7,9,11,15-16,18-19H,2,8,10,12-14H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50160984
((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-[1,2,4...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Show InChI InChI=1S/C24H29N7O5S/c1-2-19(31-11-9-27-22(24(31)36)26-8-10-30-16-25-15-28-30)23(35)29-18(12-21(33)34)20(32)14-37-13-17-6-4-3-5-7-17/h3-7,9,11,15-16,18-19H,2,8,10,12-14H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50160984
((S)-5-Benzylsulfanyl-4-oxo-3-{2-[2-oxo-3-(2-[1,2,4...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Show InChI InChI=1S/C24H29N7O5S/c1-2-19(31-11-9-27-22(24(31)36)26-8-10-30-16-25-15-28-30)23(35)29-18(12-21(33)34)20(32)14-37-13-17-6-4-3-5-7-17/h3-7,9,11,15-16,18-19H,2,8,10,12-14H2,1H3,(H,26,27)(H,29,35)(H,33,34)/t18-,19?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |