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)) | BDBM50160986
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methyl-benzothiazo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Show InChI InChI=1S/C28H29N5O5S2/c1-3-22(27(37)32-20(14-25(35)36)23(34)16-39-15-18-7-5-4-6-8-18)33-12-11-29-26(28(33)38)31-19-9-10-24-21(13-19)30-17(2)40-24/h4-13,20,22H,3,14-16H2,1-2H3,(H,29,31)(H,32,37)(H,35,36)/t20-,22?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.0880 | 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)) | BDBM50160986
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methyl-benzothiazo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Show InChI InChI=1S/C28H29N5O5S2/c1-3-22(27(37)32-20(14-25(35)36)23(34)16-39-15-18-7-5-4-6-8-18)33-12-11-29-26(28(33)38)31-19-9-10-24-21(13-19)30-17(2)40-24/h4-13,20,22H,3,14-16H2,1-2H3,(H,29,31)(H,32,37)(H,35,36)/t20-,22?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.220 | 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)) | BDBM50160986
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methyl-benzothiazo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Show InChI InChI=1S/C28H29N5O5S2/c1-3-22(27(37)32-20(14-25(35)36)23(34)16-39-15-18-7-5-4-6-8-18)33-12-11-29-26(28(33)38)31-19-9-10-24-21(13-19)30-17(2)40-24/h4-13,20,22H,3,14-16H2,1-2H3,(H,29,31)(H,32,37)(H,35,36)/t20-,22?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.40 | 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)) | BDBM50160986
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methyl-benzothiazo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Show InChI InChI=1S/C28H29N5O5S2/c1-3-22(27(37)32-20(14-25(35)36)23(34)16-39-15-18-7-5-4-6-8-18)33-12-11-29-26(28(33)38)31-19-9-10-24-21(13-19)30-17(2)40-24/h4-13,20,22H,3,14-16H2,1-2H3,(H,29,31)(H,32,37)(H,35,36)/t20-,22?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.70 | 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-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 | |