BDBM50039016 (S)-7-Amino-3-{[(S)-1-((R)-2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-hydroxy-heptanoic acid methyl ester::CHEMBL68169
SMILES: COC(=O)C(O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1
InChI Key: InChIKey=PWXNZLBAEBLWJI-CJPNDHRQSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50039016 ((S)-7-Amino-3-{[(S)-1-((R)-2-amino-3-phenyl-propio...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro activity against thrombin was determined, using a 10 microM substrate s-2238 (D-Phe-Pip-Arg-pNA); 20-30 | J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM | |||||||||||
More data for this Ligand-Target Pair |