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BDBM50037255 (S)-2-Methyl-butyric acid (3R,5R,8R,9S,10S,12S,13R,14S)-3-hydroxy-17-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-12-yl ester::CHEMBL320943

SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@]23C)[C@@H]2CCC(CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C

InChI Key: InChIKey=CFMOEGAYJQXZMT-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037255   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rat)
BDBM50037255
PNG
((S)-2-Methyl-butyric acid (3R,5R,8R,9S,10S,12S,13R...)
GoogleScholar
UniChem
n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair