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)) | BDBM50160978
((S)-5-{[(Ethoxymethyl-methyl-amino)-methyl]-amino}...)Show SMILES CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C22H34N8O7/c1-5-17(30-8-7-24-20(22(30)35)25-10-16-14(3)27-37-28-16)21(34)26-15(9-19(32)33)18(31)11-23-12-29(4)13-36-6-2/h7-8,15,17,23H,5-6,9-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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 | 0.100 | 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)) | BDBM50160978
((S)-5-{[(Ethoxymethyl-methyl-amino)-methyl]-amino}...)Show SMILES CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C22H34N8O7/c1-5-17(30-8-7-24-20(22(30)35)25-10-16-14(3)27-37-28-16)21(34)26-15(9-19(32)33)18(31)11-23-12-29(4)13-36-6-2/h7-8,15,17,23H,5-6,9-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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 | 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)) | BDBM50160978
((S)-5-{[(Ethoxymethyl-methyl-amino)-methyl]-amino}...)Show SMILES CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C22H34N8O7/c1-5-17(30-8-7-24-20(22(30)35)25-10-16-14(3)27-37-28-16)21(34)26-15(9-19(32)33)18(31)11-23-12-29(4)13-36-6-2/h7-8,15,17,23H,5-6,9-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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 | 1.80 | 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-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)) | BDBM50160978
((S)-5-{[(Ethoxymethyl-methyl-amino)-methyl]-amino}...)Show SMILES CCOCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C22H34N8O7/c1-5-17(30-8-7-24-20(22(30)35)25-10-16-14(3)27-37-28-16)21(34)26-15(9-19(32)33)18(31)11-23-12-29(4)13-36-6-2/h7-8,15,17,23H,5-6,9-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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 | >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-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 | |