Found 3 hits for monomerid = 50324948 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
(Homo sapiens (Human)) | BDBM50324948
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-5-3-7-19-17(15)6-4-9-23-19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,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
| 1.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Mus musculus) | BDBM50324948
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-5-3-7-19-17(15)6-4-9-23-19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mouse ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50324948
((R)-2-((S)-2-isopropyl-4-oxo-4-(2-(quinolin-5-yl)e...)Show SMILES CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H27N3O5/c1-14(2)18(22(30)25-16(13-26)11-21(28)29)12-20(27)24-10-8-15-5-3-7-19-17(15)6-4-9-23-19/h3-7,9,13-14,16,18H,8,10-12H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t16-,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 | 5.81 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ICE |
Bioorg Med Chem Lett 20: 5184-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X |
More data for this Ligand-Target Pair | |