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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Methionine synthase' and Ligand = 'BDBM50392650'   
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
Methionine synthase


(Homo sapiens (Human))
BDBM50392650
PNG
(CHEMBL2153704)
Show SMILES Nc1nc(N)c2N3CN(CC3CCc2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H25N7O5/c22-18-17-14(25-21(23)26-18)6-5-13-9-27(10-28(13)17)12-3-1-11(2-4-12)19(31)24-15(20(32)33)7-8-16(29)30/h1-4,13,15H,5-10H2,(H,24,31)(H,29,30)(H,32,33)(H4,22,23,25,26)/t13?,15-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 6.64E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured afte...


Eur J Med Chem 58: 228-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.027
BindingDB Entry DOI: 10.7270/Q2RX9D5C
More data for this
Ligand-Target Pair