BDBM50250719 (3R)-1-((2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl) 5-methyl 3-hydroxy-3-methylpentanedioate::(3S)-1-((2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl) 5-methyl 3-hydroxy-3-methylpentanedioate::CHEMBL500469

SMILES COC(=O)CC(C)(O)CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CCC3=C2CC[C@]2(C)[C@H](CC[C@@]32C)[C@H](C)CCC(O)C(C)(C)O)C(C)(C)C1=O

InChI Key InChIKey=JBRLPOKETSAGRC-MEHGNYCTSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250719   

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

Curated by ChEMBL
LigandPNGBDBM50250719((3R)-1-((2R,5R,10S,13R,14R,17R)-17-((2R)-5,6-dihyd...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of Escherichia coli ECOR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed