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-1
(Homo sapiens (Human)) | BDBM50160951
((S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C30H40N8O6/c1-3-25(38-14-11-32-28(30(38)43)33-17-24-20(2)35-44-36-24)29(42)34-23(16-27(40)41)26(39)18-31-19-37-12-9-22(10-13-37)15-21-7-5-4-6-8-21/h4-8,11,14,22-23,25,31H,3,9-10,12-13,15-19H2,1-2H3,(H,32,33)(H,34,42)(H,40,41)/t23-,25?/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 | 0.0470 | 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-3
(Homo sapiens (Human)) | BDBM50160951
((S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C30H40N8O6/c1-3-25(38-14-11-32-28(30(38)43)33-17-24-20(2)35-44-36-24)29(42)34-23(16-27(40)41)26(39)18-31-19-37-12-9-22(10-13-37)15-21-7-5-4-6-8-21/h4-8,11,14,22-23,25,31H,3,9-10,12-13,15-19H2,1-2H3,(H,32,33)(H,34,42)(H,40,41)/t23-,25?/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-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)) | BDBM50160951
((S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C30H40N8O6/c1-3-25(38-14-11-32-28(30(38)43)33-17-24-20(2)35-44-36-24)29(42)34-23(16-27(40)41)26(39)18-31-19-37-12-9-22(10-13-37)15-21-7-5-4-6-8-21/h4-8,11,14,22-23,25,31H,3,9-10,12-13,15-19H2,1-2H3,(H,32,33)(H,34,42)(H,40,41)/t23-,25?/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 | 0.840 | 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)) | BDBM50160951
((S)-5-[(4-Benzyl-piperidin-1-ylmethyl)-amino]-3-(2...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCN1CCC(Cc2ccccc2)CC1)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C30H40N8O6/c1-3-25(38-14-11-32-28(30(38)43)33-17-24-20(2)35-44-36-24)29(42)34-23(16-27(40)41)26(39)18-31-19-37-12-9-22(10-13-37)15-21-7-5-4-6-8-21/h4-8,11,14,22-23,25,31H,3,9-10,12-13,15-19H2,1-2H3,(H,32,33)(H,34,42)(H,40,41)/t23-,25?/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 | 6 | 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 | |