Found 5 hits for monomerid = 50145661 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Caspase-1
(Mus musculus) | BDBM50145661
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards mouse Caspase-1 |
Bioorg Med Chem Lett 14: 2685-91 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.106 BindingDB Entry DOI: 10.7270/Q2BP027K |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50145661
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards human Caspase-8 |
Bioorg Med Chem Lett 14: 2685-91 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.106 BindingDB Entry DOI: 10.7270/Q2BP027K |
More data for this Ligand-Target Pair | |
Caspase-9
(Homo sapiens (Human)) | BDBM50145661
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards human Caspase-9 |
Bioorg Med Chem Lett 14: 2685-91 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.106 BindingDB Entry DOI: 10.7270/Q2BP027K |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50145661
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards human Caspase-6 |
Bioorg Med Chem Lett 14: 2685-91 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.106 BindingDB Entry DOI: 10.7270/Q2BP027K |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50145661
((S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl...)Show SMILES CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C22H25N3O6/c1-13(2)10-18(20(29)23-15(12-26)11-19(27)28)25-22(31)21(30)24-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)(H,27,28)/t15-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity of the compound towards human Caspase-3 |
Bioorg Med Chem Lett 14: 2685-91 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.106 BindingDB Entry DOI: 10.7270/Q2BP027K |
More data for this Ligand-Target Pair | |