BDBM50269529 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-17-carboxylate::CHEMBL449122
SMILES: [#6]-[#6](=O)-[#8]-[#6][C@]12[#6]-[#6@@H]-3-[#8]-[#6](=O)-[#6@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]-3[C@]1([#6])[#6@@H](-[#8])-[#6]-[#6@H]1-[#6]2=[#6]-[#6]-[#6@@H]2[C@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]2([#6])[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
InChI Key: InChIKey=CNBPSPDNZJNBAZ-RWOCPONYSA-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)) | BDBM50269529 ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development Curated by ChEMBL | Assay Description Inhibition of human thrombin by fibrinogen-clot assay | J Nat Prod 61: 1328-31 (1999) Article DOI: 10.1021/np970464j BindingDB Entry DOI: 10.7270/Q2X63MQ2 | |||||||||||
More data for this Ligand-Target Pair |