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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 380.6
BDBM50018525

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


(Rattus norvegicus)
BDBM50018525
PNG
(5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pent...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]C#C
Show InChI InChI=1S/C28H44/c1-8-9-16-25(4)20-13-21-26(5)17-10-11-18-27(6)22-14-23-28(7)19-12-15-24(2)3/h1,15,17-18,20,23H,9-14,16,19,21-22H2,2-7H3/b25-20+,26-17+,27-18+,28-23+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase in pig liver


J Med Chem 32: 2152-8 (1989)


BindingDB Entry DOI: 10.7270/Q21835HM
More data for this
Ligand-Target Pair