BDBM50114340 (S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-formyl-3-methyl-butyl)-3-methyl-butyramide::(S)-2-(4-fluorophenylsulfonamido)-3-methyl-N-((S)-4-methyl-1-oxopentan-2-yl)butanamide::CHEMBL288365::N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal::SJA-6017
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
InChI Key: InChIKey=WSJWUIDLGZAXID-HOCLYGCPSA-N
Data: 4 IC50
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)) | BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain | Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain 1 (Rattus norvegicus) | BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Canterbury Curated by ChEMBL | Assay Description Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis | J Med Chem 54: 7503-22 (2011) Article DOI: 10.1021/jm200471r BindingDB Entry DOI: 10.7270/Q2F47PJ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of human erythrocyte mu calpain | J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain 2 (Sus scrofa) | BDBM50114340 ((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...) | MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of porcein kidney m calpain | J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48 | |||||||||||
More data for this Ligand-Target Pair |