BDBM50269526 (1S,2R,4aR,4bR,6aS,6bS,7R,9aS,10aS,12aR)-2-Acetoxy-1,4a,6a,10a-tetramethyl-7-(4-methyl-2-oxo-pent-3-enyl)-8-oxo-2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10,10a,12,12a-hexadecahydro-1H-9-oxa-pentaleno[2,1-a]phenanthrene-1-carboxylic acid::CHEMBL503000
SMILES: [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6][C@@]23[#6])-[#8]-[#6]-1=O
InChI Key: InChIKey=FILHRDIXAYLUHH-XTURJDPMSA-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)) | BDBM50269526 ((1S,2R,4aR,4bR,6aS,6bS,7R,9aS,10aS,12aR)-2-Acetoxy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 18 | 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 |