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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.6
BDBM50195965

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


(Pneumocystis carinii)
BDBM50195965
PNG
(CHEMBL392250 | [(4E,8E)-10-(3-biphenyl-4-yl-propox...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H41NO/c1-25(13-9-22-30(3)4)11-8-12-26(2)21-24-31-23-10-14-27-17-19-29(20-18-27)28-15-6-5-7-16-28/h5-7,11,15-21H,8-10,12-14,22-24H2,1-4H3/b25-11+,26-21+
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii oxidosqualene cyclase


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50195965
PNG
(CHEMBL392250 | [(4E,8E)-10-(3-biphenyl-4-yl-propox...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H41NO/c1-25(13-9-22-30(3)4)11-8-12-26(2)21-24-31-23-10-14-27-17-19-29(20-18-27)28-15-6-5-7-16-28/h5-7,11,15-21H,8-10,12-14,22-24H2,1-4H3/b25-11+,26-21+
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 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human oxidosqualene cyclase expressed in Pichia pastoris cells


Bioorg Med Chem Lett 17: 220-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.058
BindingDB Entry DOI: 10.7270/Q27M08SM
More data for this
Ligand-Target Pair