BDBM25892 (2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide::N-heterocyclic dipeptide aldehyde, 10
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O
InChI Key: InChIKey=ITTQDRIDBLKEQQ-ZFWWWQNUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calpain-2 (Ovis aries (sheep)) | BDBM25892 ((2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-meth...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Canterbury | Assay Description Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t... | Bioorg Med Chem 16: 6911-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.048 BindingDB Entry DOI: 10.7270/Q2C53J5R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-1 (Ovis aries (sheep)) | BDBM25892 ((2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-meth...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Canterbury | Assay Description Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t... | Bioorg Med Chem 16: 6911-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.048 BindingDB Entry DOI: 10.7270/Q2C53J5R | |||||||||||
More data for this Ligand-Target Pair |