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BDBM50062849 2,2-Dimethyl-3-(3,7,12-trimethyl-octadeca-3,7,11,15,17-pentaenyl)-oxirane::CHEMBL152597

SMILES: CC(CC\C=C\C=C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C

InChI Key: InChIKey=ZLFZRFFZFFSSEP-ZCGXPFLDSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50062849   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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

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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