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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 334.4
BDBM50139415

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
Lanosterol synthase


(Homo sapiens (Human))
BDBM50139415
PNG
(CHEMBL3764281)
Show SMILES CN(C\C=C\c1ccccc1)Cc1ccc(cc1)C1CCCN(C)C1
Show InChI InChI=1S/C23H30N2/c1-24(16-6-10-20-8-4-3-5-9-20)18-21-12-14-22(15-13-21)23-11-7-17-25(2)19-23/h3-6,8-10,12-15,23H,7,11,16-19H2,1-2H3/b10-6+
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MMDB

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Similars

Article
PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate


Eur J Med Chem 109: 13-22 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.025
BindingDB Entry DOI: 10.7270/Q2T43VZG
More data for this
Ligand-Target Pair