BDBM50022289 Acetate6-ethoxycarbonyl-5-hydroxy-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-hexyl-ammonium;::CHEMBL319016
SMILES: CCOC(=O)CC(O)[C@H](CCC[NH3+])NC(=O)[C@H](NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C
InChI Key: InChIKey=CIXXPCBURJDYES-UKLGZHLBSA-O
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rhizopuspepsin (Rhizopus microsporus var. chinensis) | BDBM50022289 (Acetate6-ethoxycarbonyl-5-hydroxy-4-{3-methyl-2-[3...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of R. chinensis pepsin | J Med Chem 30: 286-95 (1987) BindingDB Entry DOI: 10.7270/Q2QF8RVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsin A (Porcine) | BDBM50022289 (Acetate6-ethoxycarbonyl-5-hydroxy-4-{3-methyl-2-[3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of porcine pepsin | J Med Chem 30: 286-95 (1987) BindingDB Entry DOI: 10.7270/Q2QF8RVZ | |||||||||||
More data for this Ligand-Target Pair |