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)) | BDBM50160944
((S)-5-{[(Ethyl-methyl-amino)-methyl]-amino}-3-(2-{...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C21H32N8O6/c1-5-16(20(33)25-14(9-18(31)32)17(30)11-22-12-28(4)6-2)29-8-7-23-19(21(29)34)24-10-15-13(3)26-35-27-15/h7-8,14,16,22H,5-6,9-12H2,1-4H3,(H,23,24)(H,25,33)(H,31,32)/t14-,16?/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 | 0.0260 | 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)) | BDBM50160944
((S)-5-{[(Ethyl-methyl-amino)-methyl]-amino}-3-(2-{...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C21H32N8O6/c1-5-16(20(33)25-14(9-18(31)32)17(30)11-22-12-28(4)6-2)29-8-7-23-19(21(29)34)24-10-15-13(3)26-35-27-15/h7-8,14,16,22H,5-6,9-12H2,1-4H3,(H,23,24)(H,25,33)(H,31,32)/t14-,16?/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 | 0.0560 | 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)) | BDBM50160944
((S)-5-{[(Ethyl-methyl-amino)-methyl]-amino}-3-(2-{...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C21H32N8O6/c1-5-16(20(33)25-14(9-18(31)32)17(30)11-22-12-28(4)6-2)29-8-7-23-19(21(29)34)24-10-15-13(3)26-35-27-15/h7-8,14,16,22H,5-6,9-12H2,1-4H3,(H,23,24)(H,25,33)(H,31,32)/t14-,16?/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 | 0.540 | 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)) | BDBM50160944
((S)-5-{[(Ethyl-methyl-amino)-methyl]-amino}-3-(2-{...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C21H32N8O6/c1-5-16(20(33)25-14(9-18(31)32)17(30)11-22-12-28(4)6-2)29-8-7-23-19(21(29)34)24-10-15-13(3)26-35-27-15/h7-8,14,16,22H,5-6,9-12H2,1-4H3,(H,23,24)(H,25,33)(H,31,32)/t14-,16?/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 | |