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BDBM50007938 CHEMBL3234356

SMILES: C[N+](C)(CCCC([O-])=O)CC=C

InChI Key: InChIKey=SYGGQSAYFXNZBV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50007938   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50007938
PNG
(CHEMBL3234356)
Show SMILES C[N+](C)(CCCC([O-])=O)CC=C
Show InChI InChI=1S/C9H17NO2/c1-4-7-10(2,3)8-5-6-9(11)12/h4H,1,5-8H2,2-3H3
PDB
MMDB

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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


J Med Chem 57: 2213-36 (2014)


Article DOI: 10.1021/jm401603e
BindingDB Entry DOI: 10.7270/Q22N53TP
More data for this
Ligand-Target Pair