Found 5 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)) | BDBM50203361
((3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1| Show InChI InChI=1S/C26H34N8O5/c1-5-18(34-15-20(26(2,3)4)28-22(24(34)39)29-25-30-32-33-31-25)23(38)27-17(14-21(36)37)19(35)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,5,9,12-14H2,1-4H3,(H,27,38)(H,36,37)(H2,28,29,30,31,32,33)/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
Similars
| Article PubMed
| n/a | n/a | 5 | 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)) | BDBM50203361
((3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1| Show InChI InChI=1S/C26H34N8O5/c1-5-18(34-15-20(26(2,3)4)28-22(24(34)39)29-25-30-32-33-31-25)23(38)27-17(14-21(36)37)19(35)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,5,9,12-14H2,1-4H3,(H,27,38)(H,36,37)(H2,28,29,30,31,32,33)/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
Similars
| Article PubMed
| n/a | n/a | 8 | 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)) | BDBM50203361
((3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1| Show InChI InChI=1S/C26H34N8O5/c1-5-18(34-15-20(26(2,3)4)28-22(24(34)39)29-25-30-32-33-31-25)23(38)27-17(14-21(36)37)19(35)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,5,9,12-14H2,1-4H3,(H,27,38)(H,36,37)(H2,28,29,30,31,32,33)/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
Similars
| Article PubMed
| n/a | n/a | 9 | 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)) | BDBM50203361
((3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1| Show InChI InChI=1S/C26H34N8O5/c1-5-18(34-15-20(26(2,3)4)28-22(24(34)39)29-25-30-32-33-31-25)23(38)27-17(14-21(36)37)19(35)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,5,9,12-14H2,1-4H3,(H,27,38)(H,36,37)(H2,28,29,30,31,32,33)/t17-,18?/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 | 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 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 | |
Caspase-3
(Homo sapiens (Human)) | BDBM50203361
((3S)-3-(2-(3-(1H-tetrazol-5-ylamino)-5-tert-butyl-...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1)n1cc(nc(Nc2nnn[nH]2)c1=O)C(C)(C)C |w:2.1| Show InChI InChI=1S/C26H34N8O5/c1-5-18(34-15-20(26(2,3)4)28-22(24(34)39)29-25-30-32-33-31-25)23(38)27-17(14-21(36)37)19(35)13-9-12-16-10-7-6-8-11-16/h6-8,10-11,15,17-18H,5,9,12-14H2,1-4H3,(H,27,38)(H,36,37)(H2,28,29,30,31,32,33)/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
Similars
| Article PubMed
| n/a | n/a | 1.94E+4 | 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 in NT2 by whole cell assay |
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 | |