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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lanosterol synthase' and Ligand = 'BDBM50130783'   
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))
BDBM50130783
PNG
(CHEMBL115020 | CHEMBL611485 | {4-[6-(Allyl-methyl-...)
Show SMILES COc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H30BrNO3/c1-4-15-26(2)16-7-5-6-8-17-29-21-13-14-22(23(18-21)28-3)24(27)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of oxidosqualene cyclase


J Med Chem 50: 5039-42 (2007)


Article DOI: 10.1021/jm0704651
BindingDB Entry DOI: 10.7270/Q2ZP47FF
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50130783
PNG
(CHEMBL115020 | CHEMBL611485 | {4-[6-(Allyl-methyl-...)
Show SMILES COc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H30BrNO3/c1-4-15-26(2)16-7-5-6-8-17-29-21-13-14-22(23(18-21)28-3)24(27)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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 4.60n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human 2,3-oxidosqualene cyclase.


J Med Chem 46: 3354-70 (2003)


Article DOI: 10.1021/jm021120f
BindingDB Entry DOI: 10.7270/Q29G5NKM
More data for this
Ligand-Target Pair