BDBM50287391 (R)-4-Methyl-2-[2-oxo-2-(9H-xanthen-9-yl)-ethyl]-pentanoic acid ((S)-1-formyl-3-methyl-butyl)-amide::CHEMBL42716
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)CC(=O)C1c2ccccc2Oc2ccccc12)C=O
InChI Key: InChIKey=PVMWSZVJMMCSTO-UXHICEINSA-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)) | BDBM50287391 ((R)-4-Methyl-2-[2-oxo-2-(9H-xanthen-9-yl)-ethyl]-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate. | Bioorg Med Chem Lett 7: 287-290 (1997) Article DOI: 10.1016/S0960-894X(97)00003-6 BindingDB Entry DOI: 10.7270/Q2KS6RJC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain1 (Homo sapiens (Human)) | BDBM50287391 ((R)-4-Methyl-2-[2-oxo-2-(9H-xanthen-9-yl)-ethyl]-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity of compound against recombinant human Calpain 1 | Bioorg Med Chem Lett 6: 1619-1622 (1996) Article DOI: 10.1016/S0960-894X(96)00286-7 BindingDB Entry DOI: 10.7270/Q2RN37V7 | |||||||||||
More data for this Ligand-Target Pair |