BDBM50189822 (2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-N-((3S)-tetrahydro-2-hydroxy-3-furanyl)pentanamide::CHEMBL379402
SMILES: CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O
InChI Key: InChIKey=YYGQNLDZRDFHQH-GIIGEWEBSA-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)) | BDBM50189822 ((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 150 | 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) | BDBM50189822 ((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...) | MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 240 | 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 |