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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.7
BDBM50195651

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
24-sterol C-methyltransferase


(Arabidopsis thaliana)
BDBM50195651
PNG
(3beta-acetoxy-23,24-bisnor-chol-5-en-22-(hexanoic ...)
Show SMILES C[C@H](CNCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
Show InChI InChI=1S/C30H49NO4/c1-20(19-31-17-7-5-6-8-28(33)34)25-11-12-26-24-10-9-22-18-23(35-21(2)32)13-15-29(22,3)27(24)14-16-30(25,26)4/h9,20,23-27,31H,5-8,10-19H2,1-4H3,(H,33,34)/t20-,23+,24?,25-,26+,27+,29+,30-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant 24-SMT


J Med Chem 49: 6094-103 (2006)


Article DOI: 10.1021/jm060290f
BindingDB Entry DOI: 10.7270/Q2TB16JJ
More data for this
Ligand-Target Pair