BDBM50076012 (6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-1-(5,6-dihydro-4H-cyclopentathiazole-2-carbonyl)-4-guanidino-butyl]-amide::CHEMBL169291
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nc2CCCc2s1
InChI Key: InChIKey=HGZAKQZABFGBLF-BVSLBCMMSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50076012![]() ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description In vitro inhibitory activity against human trypsin | Bioorg Med Chem Lett 9: 835-40 (1999) BindingDB Entry DOI: 10.7270/Q25Q4V8V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50076012![]() ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Inhibition of human Thrombin | Bioorg Med Chem Lett 9: 835-40 (1999) BindingDB Entry DOI: 10.7270/Q25Q4V8V | |||||||||||
More data for this Ligand-Target Pair |