BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 356.5
BDBM50062849

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))
BDBM50062849
PNG
(2,2-Dimethyl-3-(3,7,12-trimethyl-octadeca-3,7,11,1...)
Show SMILES CC(CC\C=C\C=C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C
Show InChI InChI=1S/C25H40O/c1-7-8-9-10-14-21(2)15-11-12-16-22(3)17-13-18-23(4)19-20-24-25(5,6)26-24/h7-9,15-16,18,24H,1,10-14,17,19-20H2,2-6H3/b9-8+,21-15+,22-16+,23-18+
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 1.50E+3n/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)
BDBM50062849
PNG
(2,2-Dimethyl-3-(3,7,12-trimethyl-octadeca-3,7,11,1...)
Show SMILES CC(CC\C=C\C=C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C
Show InChI InChI=1S/C25H40O/c1-7-8-9-10-14-21(2)15-11-12-16-22(3)17-13-18-23(4)19-20-24-25(5,6)26-24/h7-9,15-16,18,24H,1,10-14,17,19-20H2,2-6H3/b9-8+,21-15+,22-16+,23-18+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/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