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BDBM50268081 (R)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpentanoic Acid::CHEMBL442625

SMILES: CC(C)(CCSCC[C@@H](N)C(O)=O)CC(O)=O

InChI Key: InChIKey=ULVAIGHMDAIAHL-SVGMAFHSNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268081   
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
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50268081
PNG
((R)-5-(3-Amino-3-carboxypropylthio)-3,3-dimethylpe...)
Show SMILES CC(C)(CCSCC[C@@H](N)C(O)=O)CC(O)=O
Show InChI InChI=1/C11H21NO4S/c1-11(2,7-9(13)14)4-6-17-5-3-8(12)10(15)16/h8H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-/s2
PDB
MMDB

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Similars

Article
PubMed
n/an/a 701n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrate


J Med Chem 52: 3652-65 (2009)


Article DOI: 10.1021/jm8015798
BindingDB Entry DOI: 10.7270/Q2ZG6S55
More data for this
Ligand-Target Pair