BDBM50025517 3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-heptanoic acid ethyl ester::CHEMBL433050::CHEMBL85058
SMILES: CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C
InChI Key: InChIKey=SMVMSLPPAGGLDL-PWIBJQSTSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50025517 (3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Tested for time independent inhibition constant against porcine pepsin | J Med Chem 26: 904-10 (1983) BindingDB Entry DOI: 10.7270/Q2057DX2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50025517 (3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of cathepsin D. | J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N | |||||||||||
More data for this Ligand-Target Pair |