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Articleid 50028916

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus)		BDBM50280127
PNG
(2,2-dimethyl-3-[3,7,12-trimethyl-14-[3-methyl-3-(4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-[#6]1-[#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/C30H50O2/c1-23(2)13-12-22-30(8)28(32-30)21-19-25(4)15-10-9-14-24(3)16-11-17-26(5)18-20-27-29(6,7)31-27/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-15+,26-17+
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Article
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes

Bioorg Med Chem Lett 2: 1239-1242 (1992)


Article DOI: 10.1016/S0960-894X(00)80221-8
BindingDB Entry DOI: 10.7270/Q28K791S
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)		BDBM50280129
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-3-((3E,7E,11E)-3...)
Show SMILES [#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]-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C30H50O/c1-24(2)14-11-18-27(6)20-12-19-26(5)16-9-10-17-28(7)21-22-29-30(8,31-29)23-13-15-25(3)4/h14-17,20,29H,9-13,18-19,21-23H2,1-8H3/b26-16+,27-20+,28-17+
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n/an/a 8.35E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes

Bioorg Med Chem Lett 2: 1239-1242 (1992)


Article DOI: 10.1016/S0960-894X(00)80221-8
BindingDB Entry DOI: 10.7270/Q28K791S
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)		BDBM50280128
PNG
(3-[18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramet...)
Show SMILES C\C(CC\C=C(/C)CCC1OC1(C)C)=C/CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+
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Article
n/an/a 1.42E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes

Bioorg Med Chem Lett 2: 1239-1242 (1992)


Article DOI: 10.1016/S0960-894X(00)80221-8
BindingDB Entry DOI: 10.7270/Q28K791S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%