BDBM50250752 (2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dihydroxy-4,4,10,13-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl 2-(tert-butoxycarbonylamino)acetate::CHEMBL455501

SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)[C@H](O)C(C)(C)[C@@H]1CC3

InChI Key InChIKey=BBCAXMVYZQZZTA-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250752   

TargetType II restriction enzyme EcoRI(Escherichia coli)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50250752((2R,3R,5R,10S,11R,12R,13R,17R)-12-acetoxy-3,11-dih...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Escherichia coli ECOR1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed