Found 8 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)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/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
Similars
| Article PubMed
| n/a | n/a | 0.0140 | 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-7
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/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
Similars
| Article PubMed
| n/a | n/a | 0.140 | 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-1
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/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
Similars
| Article PubMed
| n/a | n/a | 5.10 | 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-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-8
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/t20-,22?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | 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 | |
Caspase-3
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/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
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 3 |
Bioorg Med Chem Lett 17: 1671-4 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.110 BindingDB Entry DOI: 10.7270/Q22R3RBJ |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/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
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 7 |
Bioorg Med Chem Lett 17: 1671-4 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.110 BindingDB Entry DOI: 10.7270/Q22R3RBJ |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/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
Similars
| Article PubMed
| n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 1 |
Bioorg Med Chem Lett 17: 1671-4 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.110 BindingDB Entry DOI: 10.7270/Q22R3RBJ |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50160976
((3S)-3-(2-(5-tert-butyl-3-((4-methyl-1,2,5-oxadiaz...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C Show InChI InChI=1S/C29H38N6O6/c1-6-22(27(39)31-20(15-25(37)38)23(36)14-10-13-19-11-8-7-9-12-19)35-17-24(29(3,4)5)32-26(28(35)40)30-16-21-18(2)33-41-34-21/h7-9,11-12,17,20,22H,6,10,13-16H2,1-5H3,(H,30,32)(H,31,39)(H,37,38)/t20-,22?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 8 |
Bioorg Med Chem Lett 17: 1671-4 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.110 BindingDB Entry DOI: 10.7270/Q22R3RBJ |
More data for this Ligand-Target Pair | |