BDBM50210438 (2S,3aS,6R,7aS)-6-hydroxy-1-[(R)-2-((R)-2-hydroxy-3-phenyl-propionylamino)-4-methyl-pentanoyl]-octahydro-indole-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL245872
SMILES: [#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#8])-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
InChI Key: InChIKey=BKEYFBGVRXWTIV-ZWYIGRMZSA-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)) | BDBM50210438 ((2S,3aS,6R,7aS)-6-hydroxy-1-[(R)-2-((R)-2-hydroxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 17: 3480-5 (2007) Article DOI: 10.1016/j.bmcl.2007.03.075 BindingDB Entry DOI: 10.7270/Q25M65FJ | |||||||||||
More data for this Ligand-Target Pair |