BDBM50324943 (S)-3-((S)-2-isopropyl-4-oxo-4-(3-oxo-3-phenylpropylamino)butanamido)-4-oxobutanoic acid::CHEMBL1221546
SMILES: CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O
InChI Key: InChIKey=ITFOOCGHXCZPIT-HOTGVXAUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50324943 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)) | BDBM50324943
((S)-3-((S)-2-isopropyl-4-oxo-4-(3-oxo-3-phenylprop...)Show SMILES CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N2O6/c1-13(2)16(20(28)22-15(12-23)10-19(26)27)11-18(25)21-9-8-17(24)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,21,25)(H,22,28)(H,26,27)/t15-,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
| 118 | 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
(Homo sapiens (Human)) | BDBM50324943
((S)-3-((S)-2-isopropyl-4-oxo-4-(3-oxo-3-phenylprop...)Show SMILES CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N2O6/c1-13(2)16(20(28)22-15(12-23)10-19(26)27)11-18(25)21-9-8-17(24)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,21,25)(H,22,28)(H,26,27)/t15-,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 | 398 | 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 | |