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)) | BDBM50160972
((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Show InChI InChI=1S/C25H29N5O6S/c1-3-20(30-10-9-26-23(25(30)35)27-13-18-11-16(2)29-36-18)24(34)28-19(12-22(32)33)21(31)15-37-14-17-7-5-4-6-8-17/h4-11,19-20H,3,12-15H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)/t19-,20?/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 | 0.0510 | 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)) | BDBM50160972
((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Show InChI InChI=1S/C25H29N5O6S/c1-3-20(30-10-9-26-23(25(30)35)27-13-18-11-16(2)29-36-18)24(34)28-19(12-22(32)33)21(31)15-37-14-17-7-5-4-6-8-17/h4-11,19-20H,3,12-15H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)/t19-,20?/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 | 0.230 | 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)) | BDBM50160972
((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Show InChI InChI=1S/C25H29N5O6S/c1-3-20(30-10-9-26-23(25(30)35)27-13-18-11-16(2)29-36-18)24(34)28-19(12-22(32)33)21(31)15-37-14-17-7-5-4-6-8-17/h4-11,19-20H,3,12-15H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)/t19-,20?/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 | 2.5 | 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)) | BDBM50160972
((S)-5-Benzylsulfanyl-3-(2-{3-[(3-methyl-isoxazol-5...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Show InChI InChI=1S/C25H29N5O6S/c1-3-20(30-10-9-26-23(25(30)35)27-13-18-11-16(2)29-36-18)24(34)28-19(12-22(32)33)21(31)15-37-14-17-7-5-4-6-8-17/h4-11,19-20H,3,12-15H2,1-2H3,(H,26,27)(H,28,34)(H,32,33)/t19-,20?/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 | 3.30 | 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 | |