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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50395382   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
S-methylmethionine--homocysteine S-methyltransferase BHMT2


(Homo sapiens (Human))
BDBM50395382
PNG
(CHEMBL2164724)
Show SMILES CC(CCSCC[C@H](N)C(O)=O)CCC(N)C(O)=O |r|
Show InChI InChI=1S/C12H24N2O4S/c1-8(2-3-9(13)11(15)16)4-6-19-7-5-10(14)12(17)18/h8-10H,2-7,13-14H2,1H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BHMT2 expressed in Escherichia coli BL31(DE3)


J Med Chem 55: 6822-31 (2012)


Article DOI: 10.1021/jm300571h
BindingDB Entry DOI: 10.7270/Q2BV7HSH
More data for this
Ligand-Target Pair
Betaine--homocysteine S-methyltransferase 1


(Homo sapiens (Human))
BDBM50395382
PNG
(CHEMBL2164724)
Show SMILES CC(CCSCC[C@H](N)C(O)=O)CCC(N)C(O)=O |r|
Show InChI InChI=1S/C12H24N2O4S/c1-8(2-3-9(13)11(15)16)4-6-19-7-5-10(14)12(17)18/h8-10H,2-7,13-14H2,1H3,(H,15,16)(H,17,18)/t8?,9?,10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.66E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BHMT expressed in Escherichia coli BL31(DE3)


J Med Chem 55: 6822-31 (2012)


Article DOI: 10.1021/jm300571h
BindingDB Entry DOI: 10.7270/Q2BV7HSH
More data for this
Ligand-Target Pair