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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.7
BDBM50062846

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

Found 2 hits 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))
BDBM50062846
PNG
(2,2-Dimethyl-3-(3,7,12,19-tetramethyl-16-vinyl-ico...)
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]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H48O/c1-9-28(22-20-24(2)3)19-13-18-26(5)15-11-10-14-25(4)16-12-17-27(6)21-23-29-30(7,8)31-29/h9,14-15,17,19-20,29H,1,10-13,16,18,21-23H2,2-8H3/b25-14+,26-15+,27-17+,28-19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of solubilized and partially purified Saccharomyces cerevisae Oxidosqualene-lanosterol cyclase


J Med Chem 41: 540-54 (1998)


Article DOI: 10.1021/jm970534j
BindingDB Entry DOI: 10.7270/Q2WQ02XV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50062846
PNG
(2,2-Dimethyl-3-(3,7,12,19-tetramethyl-16-vinyl-ico...)
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]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C30H48O/c1-9-28(22-20-24(2)3)19-13-18-26(5)15-11-10-14-25(4)16-12-17-27(6)21-23-29-30(7,8)31-29/h9,14-15,17,19-20,29H,1,10-13,16,18,21-23H2,2-8H3/b25-14+,26-15+,27-17+,28-19-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of solubilized and partially purified pig liver Oxidosqualene-lanosterol cyclase


J Med Chem 41: 540-54 (1998)


Article DOI: 10.1021/jm970534j
BindingDB Entry DOI: 10.7270/Q2WQ02XV
More data for this
Ligand-Target Pair