BDBM50027915 3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptanoic acid [3-methyl-1-(3-methyl-butylcarbamoyl)-butyl]-amide::CHEMBL173430
SMILES: CC(C)CCNC(=O)C(CC(C)C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C
InChI Key: InChIKey=CTXABLDXCRFKKK-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50027915 (3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyryl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.60 | 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 dependent 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 |