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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 196.3
BDBM50003030
Wt: 225.3
BDBM50003031
Wt: 195.3
BDBM50051374
Wt: 255.3
BDBM50133286
Purchase
Wt: 263.4
BDBM50281892
Wt: 233.3
BDBM50281894
Wt: 229.4
BDBM50327308
Purchase
Wt: 265.2
BDBM50167092
Wt: 264.2
BDBM50167074
Wt: 264.2
BDBM50167079
Wt: 264.2
BDBM50167080
Wt: 242.2
BDBM50167075
Wt: 238.2
BDBM50167076
Wt: 264.2
BDBM50167077
Wt: 265.2
BDBM50167082
Displayed 1 to 15 (of 222 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 28 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
Catechol-O-methyltransferase


(Rattus norvegicus (Rat))
BDBM50167074
PNG
(CHEMBL3799913)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-7-9-18(11-15(14)20)16-10-13(6-8-17-16)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 15n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167074
PNG
(CHEMBL3799913)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-7-9-18(11-15(14)20)16-10-13(6-8-17-16)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167079
PNG
(CHEMBL3797723)
Show SMILES Oc1cn(ccc1=O)-c1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-9-10-18(11-15(14)20)16-8-4-7-13(17-16)12-5-2-1-3-6-12/h1-11,20H
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n/an/a 128n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50133286
PNG
(CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167080
PNG
(CHEMBL3798286)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-7-9-18(11-16(15)20)13-6-8-17-14(10-13)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 456n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167092
PNG
(CHEMBL3797584)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccncc1
Show InChI InChI=1S/C15H11N3O2/c19-13-4-8-18(10-14(13)20)15-9-12(3-7-17-15)11-1-5-16-6-2-11/h1-10,20H
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n/an/a 672n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167082
PNG
(CHEMBL3797901)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2/c19-12-7-9-18(10-13(12)20)14-6-8-16-15(17-14)11-4-2-1-3-5-11/h1-10,20H
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n/an/a 706n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50133286
PNG
(CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3
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n/an/a 750n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167076
PNG
(CHEMBL3797305)
Show SMILES Oc1cn(ccc1=O)-c1nccc2ccccc12
Show InChI InChI=1S/C14H10N2O2/c17-12-6-8-16(9-13(12)18)14-11-4-2-1-3-10(11)5-7-15-14/h1-9,18H
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n/an/a 962n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167076
PNG
(CHEMBL3797305)
Show SMILES Oc1cn(ccc1=O)-c1nccc2ccccc12
Show InChI InChI=1S/C14H10N2O2/c17-12-6-8-16(9-13(12)18)14-11-4-2-1-3-10(11)5-7-15-14/h1-9,18H
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n/an/a 1.27E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167075
PNG
(CHEMBL3799278)
Show SMILES Cc1cn2nc(ccc2n1)-n1ccc(=O)c(O)c1
Show InChI InChI=1S/C12H10N4O2/c1-8-6-16-11(13-8)2-3-12(14-16)15-5-4-9(17)10(18)7-15/h2-7,18H,1H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167082
PNG
(CHEMBL3797901)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O2/c19-12-7-9-18(10-13(12)20)14-6-8-16-15(17-14)11-4-2-1-3-5-11/h1-10,20H
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n/an/a 2.05E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50327308
PNG
(CHEMBL1233973 | LAURYL DIMETHYLAMINE-N-OXIDE | N,N...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)[O-]
Show InChI InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
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n/an/a 2.15E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry

Curated by ChEMBL


Assay Description
Inhibition of OSC


Bioorg Med Chem Lett 20: 5807-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.131
BindingDB Entry DOI: 10.7270/Q2Q52PV3
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167080
PNG
(CHEMBL3798286)
Show SMILES Oc1cn(ccc1=O)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-15-7-9-18(11-16(15)20)13-6-8-17-14(10-13)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 2.33E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50133286
PNG
(CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in rat


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167079
PNG
(CHEMBL3797723)
Show SMILES Oc1cn(ccc1=O)-c1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-9-10-18(11-15(14)20)16-8-4-7-13(17-16)12-5-2-1-3-6-12/h1-11,20H
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n/an/a 2.58E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167074
PNG
(CHEMBL3799913)
Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-7-9-18(11-15(14)20)16-10-13(6-8-17-16)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 3.02E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167077
PNG
(CHEMBL3797649)
Show SMILES Oc1cn(ccc1=O)-c1ncccc1-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-8-10-18(11-15(14)20)16-13(7-4-9-17-16)12-5-2-1-3-6-12/h1-11,20H
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167075
PNG
(CHEMBL3799278)
Show SMILES Cc1cn2nc(ccc2n1)-n1ccc(=O)c(O)c1
Show InChI InChI=1S/C12H10N4O2/c1-8-6-16-11(13-8)2-3-12(14-16)15-5-4-9(17)10(18)7-15/h2-7,18H,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167077
PNG
(CHEMBL3797649)
Show SMILES Oc1cn(ccc1=O)-c1ncccc1-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-14-8-10-18(11-15(14)20)16-13(7-4-9-17-16)12-5-2-1-3-6-12/h1-11,20H
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50327308
PNG
(CHEMBL1233973 | LAURYL DIMETHYLAMINE-N-OXIDE | N,N...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)[O-]
Show InChI InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
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n/an/a 6.31E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae by gas chromatography


Bioorg Med Chem Lett 22: 231-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.021
BindingDB Entry DOI: 10.7270/Q2Z60PHC
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003030
PNG
((2S,4aS,8aR)-1,1,4a-Trimethyl-decahydro-naphthalen...)
Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
Show InChI InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


J Med Chem 35: 3581-3 (1992)


Article DOI: 10.1021/jm00097a017
BindingDB Entry DOI: 10.7270/Q24T6H9N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50133286
PNG
(CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003030
PNG
((2S,4aS,8aR)-1,1,4a-Trimethyl-decahydro-naphthalen...)
Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
Show InChI InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from Rat liver microsomes


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281892
PNG
(1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidine...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CCCCC1
Show InChI InChI=1S/C18H33N/c1-16(2)10-8-11-17(3)12-9-13-18(4)19-14-6-5-7-15-19/h10,12,18H,5-9,11,13-15H2,1-4H3/b17-12+
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003031
PNG
(1-(6-Hydroxy-5,8a-dimethyl-octahydro-isoquinolin-2...)
Show SMILES C[C@@H]1[C@@H](O)CC[C@]2(C)CN(CC[C@@H]12)C(C)=O
Show InChI InChI=1S/C13H23NO2/c1-9-11-5-7-14(10(2)15)8-13(11,3)6-4-12(9)16/h9,11-12,16H,4-8H2,1-3H3/t9-,11-,12-,13+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


J Med Chem 35: 3581-3 (1992)


Article DOI: 10.1021/jm00097a017
BindingDB Entry DOI: 10.7270/Q24T6H9N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281894
PNG
(2-(1-Benzyl-piperidin-4-yl)-propan-1-ol | CHEMBL28...)
Show SMILES CC(CO)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C15H23NO/c1-13(12-17)15-7-9-16(10-8-15)11-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3
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n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051374
PNG
((6S,8aS)-5,5,8a-Trimethyl-1,2,3,5,6,7,8,8a-octahyd...)
Show SMILES C[C@]12CC[C@H](O)C(C)(C)C1=CCNC2
Show InChI InChI=1S/C12H21NO/c1-11(2)9-5-7-13-8-12(9,3)6-4-10(11)14/h5,10,13-14H,4,6-8H2,1-3H3/t10-,12+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from Rat liver microsomes


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair