BDBM50028313 3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-heptanoic acid {1-[1-(1,2-dihydroxy-ethyl)-3-methyl-butylcarbamoyl]-ethyl}-amide::CHEMBL322823
SMILES: CC(C)CC(NC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CO
InChI Key: InChIKey=AKRUNYGNLDPBSW-XJBBECLMSA-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) | BDBM50028313 (3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0457 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe | J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50028313 (3-Hydroxy-6-methyl-4-{3-methyl-2-[3-methyl-2-(3-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of renin was measured using hog kidney reninand the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH | J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ | |||||||||||
More data for this Ligand-Target Pair |