Found 2 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)) | BDBM50325239
(CHEMBL1223112)Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r| Show InChI InChI=1S/C32H44N4O11/c1-18(2)28(35-32(44)46-16-20-9-6-5-7-10-20)31(43)33-19(3)30(42)34-23(15-26(39)40)24(37)17-47-36-25(38)13-21-11-8-12-22(29(21)36)14-27(41)45-4/h5-7,9-10,18-19,21-23,28-29H,8,11-17H2,1-4H3,(H,33,43)(H,34,42)(H,35,44)(H,39,40)/t19-,21-,22+,23-,28-,29+/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
| 7 | 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 ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50325239
(CHEMBL1223112)Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r| Show InChI InChI=1S/C32H44N4O11/c1-18(2)28(35-32(44)46-16-20-9-6-5-7-10-20)31(43)33-19(3)30(42)34-23(15-26(39)40)24(37)17-47-36-25(38)13-21-11-8-12-22(29(21)36)14-27(41)45-4/h5-7,9-10,18-19,21-23,28-29H,8,11-17H2,1-4H3,(H,33,43)(H,34,42)(H,35,44)(H,39,40)/t19-,21-,22+,23-,28-,29+/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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 20: 5089-94 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.031 BindingDB Entry DOI: 10.7270/Q2SQ90K1 |
More data for this Ligand-Target Pair | |