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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Methyltransferase' and Ligand = 'BDBM50371191'   
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
Methyltransferase


(Glycine max)		BDBM50371191
PNG
(CHEMBL238349)
Show SMILES CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C |w:17.17,19.18|
Show InChI InChI=1S/C29H50OS/c1-19(2)31-17-12-20(3)21-10-13-27(7)23-9-8-22-25(4,5)24(30)11-14-28(22)18-29(23,28)16-15-26(21,27)6/h19-24,30H,8-18H2,1-7H3/t20-,21-,22+,23+,24+,26-,27+,28?,29?/m1/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 2.00E+3n/an/an/an/an/an/an/an/a



Texas Tech University

Curated by ChEMBL


Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli

Bioorg Med Chem Lett 17: 5902-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.096
BindingDB Entry DOI: 10.7270/Q2PR7WTK
More data for this
Ligand-Target Pair