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BDBM50191686 CHEMBL213124::methylene-bis-methylphlorobutyrophenone

SMILES: CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c1O

InChI Key: InChIKey=JBOIEATWPCRELN-UHFFFAOYSA-N

Data: 1 IC50

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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 = 50191686   
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
Fatty acid synthase


(Homo sapiens (Human))
BDBM50191686
PNG
(CHEMBL213124 | methylene-bis-methylphlorobutyrophe...)
Show SMILES CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c1O
Show InChI InChI=1S/C23H28O8/c1-5-7-14(24)16-20(28)10(3)18(26)12(22(16)30)9-13-19(27)11(4)21(29)17(23(13)31)15(25)8-6-2/h26-31H,5-9H2,1-4H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.54E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of FAS


Bioorg Med Chem Lett 16: 4738-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.018
BindingDB Entry DOI: 10.7270/Q2QV3NB7
More data for this
Ligand-Target Pair