BDBM50114342 (E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-4-methylpentylidene)acetohydrazide::(S)-N-{(S)-1-[(2-Dimethylamino-acetyl)-hydrazonomethyl]-3-methyl-butyl}-2-(4-fluoro-benzenesulfonylamino)-3-methyl-butyramide::CHEMBL288882
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(=O)CN(C)C
InChI Key: InChIKey=WUINYGBPWKNVAB-PXNSSMCTSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain1 (Homo sapiens (Human)) | BDBM50114342 ((E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluoroph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 370 | 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-1 (Sus scrofa (pig)) | BDBM50114342 ((E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluoroph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 370 | 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 |