BDBM50193500 (R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-phenylbutan-2-yl)-1-(4-nitrophenyl-sulfonylpyrrolidine-2-carboxamide::CHEMBL426143
SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
InChI Key: InChIKey=JPMNLWQYEDHYFW-FXDYGKIASA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain-1 (Sus scrofa (pig)) | BDBM50193500 ((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Inhibition of porcine erythrocyte mu calpain | J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50193500 ((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B | J Med Chem 49: 5282-90 (2006) Article DOI: 10.1021/jm050849w BindingDB Entry DOI: 10.7270/Q20C4VC6 | |||||||||||
More data for this Ligand-Target Pair |