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)) | BDBM50160948
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/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 | 0.0260 | 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)) | BDBM50160948
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/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 | 0.130 | 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)) | BDBM50160948
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/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 | 1.10 | 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-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)) | BDBM50160948
((S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Show InChI InChI=1S/C24H27N5O5S2/c1-2-18(29-10-8-26-22(24(29)34)27-13-20-25-9-11-36-20)23(33)28-17(12-21(31)32)19(30)15-35-14-16-6-4-3-5-7-16/h3-11,17-18H,2,12-15H2,1H3,(H,26,27)(H,28,33)(H,31,32)/t17-,18?/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 | 1.80 | 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 | |