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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'taramino' and Initial = 's'   
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 ERG7


(Saccharomyces cerevisiae)
BDBM50255431
PNG
(4-(trifluoromethyl)phenyl 4-(5-(allyl(methyl)amino...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(-5.96,-29.96,;-5.96,-31.5,;-4.63,-32.27,;-3.29,-31.5,;-1.96,-32.27,;-.63,-31.5,;.71,-32.27,;2.04,-31.5,;3.36,-32.27,;4.69,-31.51,;4.7,-29.97,;3.37,-29.19,;2.03,-29.96,;6.04,-29.2,;6.04,-27.66,;7.37,-29.98,;7.36,-31.52,;8.71,-29.21,;10.04,-29.99,;10,-31.53,;11.32,-32.32,;12.67,-31.58,;12.7,-30.03,;11.38,-29.24,;13.99,-32.38,;15.32,-33.15,;13.2,-33.7,;14.77,-31.05,;-7.3,-32.27,;-8.63,-31.5,;-9.96,-32.27,)|
Show InChI InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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n/an/a 50n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128063
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...)
Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 70n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255432
PNG
(CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...)
Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3
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n/an/a 70n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255474
PNG
(4-(5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pen...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(CCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C22H25BrN2OS/c23-19-8-6-18(7-9-19)22-20-10-5-17(16-21(20)27-24-22)4-2-1-3-11-25-12-14-26-15-13-25/h5-10,16H,1-4,11-15H2
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Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255531
PNG
(4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pe...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:14.17,wD:11.10,(19.37,-12.82,;18.05,-13.6,;18.08,-15.14,;16.75,-15.92,;15.41,-15.17,;14.08,-15.96,;19.42,-15.89,;20.74,-15.09,;22.1,-15.85,;23.42,-15.06,;24.77,-15.83,;26.11,-15.04,;27.44,-15.8,;28.77,-15.03,;28.77,-13.49,;27.44,-12.73,;26.11,-13.5,;30.11,-12.71,;30.1,-11.17,;31.45,-13.48,;31.47,-15.01,;32.78,-12.71,;32.78,-11.17,;34.11,-10.4,;34.12,-8.85,;32.78,-8.09,;32.78,-6.55,;31.46,-8.86,;31.46,-10.4,)|
Show InChI InChI=1S/C23H37ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-9,12-13,16-18H2,1-2H3/t19-,21-
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Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255532
PNG
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)|
Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255433
PNG
(4-(4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(OCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H23BrN2O2S/c22-17-5-3-16(4-6-17)21-19-8-7-18(15-20(19)27-23-21)26-12-2-1-9-24-10-13-25-14-11-24/h3-8,15H,1-2,9-14H2
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n/an/a 120n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255431
PNG
(4-(trifluoromethyl)phenyl 4-(5-(allyl(methyl)amino...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(-5.96,-29.96,;-5.96,-31.5,;-4.63,-32.27,;-3.29,-31.5,;-1.96,-32.27,;-.63,-31.5,;.71,-32.27,;2.04,-31.5,;3.36,-32.27,;4.69,-31.51,;4.7,-29.97,;3.37,-29.19,;2.03,-29.96,;6.04,-29.2,;6.04,-27.66,;7.37,-29.98,;7.36,-31.52,;8.71,-29.21,;10.04,-29.99,;10,-31.53,;11.32,-32.32,;12.67,-31.58,;12.7,-30.03,;11.38,-29.24,;13.99,-32.38,;15.32,-33.15,;13.2,-33.7,;14.77,-31.05,;-7.3,-32.27,;-8.63,-31.5,;-9.96,-32.27,)|
Show InChI InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50128063
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...)
Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 160n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50128065
PNG
(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 170n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128062
PNG
((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...)
Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+
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n/an/a 180n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128065
PNG
(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Show SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 210n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128056
PNG
((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...)
Show SMILES CN(CC=C)C\C=C\COc1ccc2c(coc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H22BrNO2/c1-3-12-24(2)13-4-5-14-25-19-10-11-20-21(16-26-22(20)15-19)17-6-8-18(23)9-7-17/h3-11,15-16H,1,12-14H2,2H3/b5-4+
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n/an/a 210n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255475
PNG
(2-((5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pe...)
Show SMILES CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H23BrN2OS/c1-2-25(14-15-26)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16,26H,2-3,5,13-15H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50128070
PNG
((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...)
Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
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n/an/a 250n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50128070
PNG
((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...)
Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
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n/an/a 250n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50128062
PNG
((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...)
Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+
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n/an/a 260n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255432
PNG
(CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...)
Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3
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n/an/a 260n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50128062
PNG
((4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMI...)
Show SMILES CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
Show InChI InChI=1S/C21H22BrNO2/c1-23(19-10-11-19)14-2-3-15-25-20-12-6-17(7-13-20)21(24)16-4-8-18(22)9-5-16/h2-9,12-13,19H,10-11,14-15H2,1H3/b3-2+
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n/an/a 270n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255430
PNG
(CHEMBL473035 | N-(4-(5-(ethyl(2-hydroxyethyl)amino...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:14.17,wD:11.10,(2.96,-12.19,;4.3,-12.96,;4.3,-14.5,;2.96,-15.27,;1.63,-14.5,;.3,-15.27,;5.63,-15.27,;6.96,-14.5,;8.3,-15.27,;9.63,-14.5,;10.96,-15.27,;12.3,-14.5,;13.62,-15.27,;14.95,-14.51,;14.96,-12.97,;13.63,-12.19,;12.29,-12.96,;16.3,-12.2,;16.3,-10.66,;17.63,-12.98,;18.95,-13.74,;16.86,-14.31,;18.41,-11.65,;19.95,-11.66,;20.73,-10.34,;19.97,-9,;18.42,-8.99,;17.65,-10.32,;20.74,-7.67,;21.51,-6.32,;22.08,-8.44,;19.41,-6.9,)|
Show InChI InChI=1S/C23H37F3N2O3S/c1-3-28(17-18-29)16-6-4-5-7-19-8-12-21(13-9-19)27(2)32(30,31)22-14-10-20(11-15-22)23(24,25)26/h10-11,14-15,19,21,29H,3-9,12-13,16-18H2,1-2H3/t19-,21-
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n/an/a 270n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128052
PNG
(Allyl-{6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phen...)
Show SMILES CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-11-8-18(9-12-20)23-21-13-10-19(24)17-22(21)28-25-23/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 280n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128058
PNG
(ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6...)
Show SMILES CN(CCCCCCOc1ccc2c(nn(C)c2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C24H30BrN3O/c1-4-15-27(2)16-7-5-6-8-17-29-21-13-14-22-23(18-21)28(3)26-24(22)19-9-11-20(25)12-10-19/h4,9-14,18H,1,5-8,15-17H2,2-3H3
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n/an/a 290n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255476
PNG
(2-((3-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pr...)
Show SMILES CCN(CCO)CC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN2OS/c1-2-23(12-13-24)11-3-4-15-5-10-18-19(14-15)25-22-20(18)16-6-8-17(21)9-7-16/h5-10,14,24H,2,11-13H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255532
PNG
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)|
Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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n/an/a 300n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128070
PNG
((4''-{[ALLYL(METHYL)AMINO]METHYL}-1,1''-BIPHENYL-4...)
Show SMILES CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
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n/an/a 320n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255602
PNG
(CHEMBL520926 | N-(4-(4-(1-(diethylamino)cyclopropy...)
Show SMILES CCN(CC)C1(CCCC[C@H]2CC[C@@H](CC2)N(C)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:13.16,wD:10.9,(4.17,-7.27,;2.84,-8.04,;2.84,-9.57,;1.51,-10.35,;.18,-9.57,;4.17,-10.35,;5.5,-9.57,;6.83,-10.35,;8.16,-9.57,;9.5,-10.35,;10.83,-9.57,;12.16,-10.35,;13.5,-9.57,;13.49,-8.03,;12.16,-7.27,;10.83,-8.03,;14.82,-7.26,;14.82,-5.73,;16.15,-8.03,;17.48,-8.8,;15.38,-9.36,;16.91,-6.69,;16.14,-5.37,;16.9,-4.02,;18.45,-4.02,;19.22,-5.34,;18.45,-6.68,;19.21,-2.69,;19.97,-1.36,;20.54,-3.45,;17.88,-1.92,;3.4,-11.66,;4.93,-11.66,)|
Show InChI InChI=1S/C25H39F3N2O2S/c1-4-30(5-2)24(18-19-24)17-7-6-8-20-9-13-22(14-10-20)29(3)33(31,32)23-15-11-21(12-16-23)25(26,27)28/h11-12,15-16,20,22H,4-10,13-14,17-19H2,1-3H3/t20-,22-
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n/an/a 320n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Pneumocystis carinii)
BDBM50195963
PNG
((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1
Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+
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n/an/a 330n/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


(Pneumocystis carinii)
BDBM50195962
PNG
((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...)
Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C
Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+
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n/an/a 360n/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 ERG7


(Saccharomyces cerevisiae)
BDBM50255474
PNG
(4-(5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pen...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(CCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C22H25BrN2OS/c23-19-8-6-18(7-9-19)22-20-10-5-17(16-21(20)27-24-22)4-2-1-3-11-25-12-14-26-15-13-25/h5-10,16H,1-4,11-15H2
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n/an/a 400n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255602
PNG
(CHEMBL520926 | N-(4-(4-(1-(diethylamino)cyclopropy...)
Show SMILES CCN(CC)C1(CCCC[C@H]2CC[C@@H](CC2)N(C)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:13.16,wD:10.9,(4.17,-7.27,;2.84,-8.04,;2.84,-9.57,;1.51,-10.35,;.18,-9.57,;4.17,-10.35,;5.5,-9.57,;6.83,-10.35,;8.16,-9.57,;9.5,-10.35,;10.83,-9.57,;12.16,-10.35,;13.5,-9.57,;13.49,-8.03,;12.16,-7.27,;10.83,-8.03,;14.82,-7.26,;14.82,-5.73,;16.15,-8.03,;17.48,-8.8,;15.38,-9.36,;16.91,-6.69,;16.14,-5.37,;16.9,-4.02,;18.45,-4.02,;19.22,-5.34,;18.45,-6.68,;19.21,-2.69,;19.97,-1.36,;20.54,-3.45,;17.88,-1.92,;3.4,-11.66,;4.93,-11.66,)|
Show InChI InChI=1S/C25H39F3N2O2S/c1-4-30(5-2)24(18-19-24)17-7-6-8-20-9-13-22(14-10-20)29(3)33(31,32)23-15-11-21(12-16-23)25(26,27)28/h11-12,15-16,20,22H,4-10,13-14,17-19H2,1-3H3/t20-,22-
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n/an/a 440n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255532
PNG
(CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)|
Show InChI InChI=1S/C23H35F3N2O2S/c1-4-17-27(2)18-7-5-6-8-19-9-13-21(14-10-19)28(3)31(29,30)22-15-11-20(12-16-22)23(24,25)26/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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n/an/a 440n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255430
PNG
(CHEMBL473035 | N-(4-(5-(ethyl(2-hydroxyethyl)amino...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:14.17,wD:11.10,(2.96,-12.19,;4.3,-12.96,;4.3,-14.5,;2.96,-15.27,;1.63,-14.5,;.3,-15.27,;5.63,-15.27,;6.96,-14.5,;8.3,-15.27,;9.63,-14.5,;10.96,-15.27,;12.3,-14.5,;13.62,-15.27,;14.95,-14.51,;14.96,-12.97,;13.63,-12.19,;12.29,-12.96,;16.3,-12.2,;16.3,-10.66,;17.63,-12.98,;18.95,-13.74,;16.86,-14.31,;18.41,-11.65,;19.95,-11.66,;20.73,-10.34,;19.97,-9,;18.42,-8.99,;17.65,-10.32,;20.74,-7.67,;21.51,-6.32,;22.08,-8.44,;19.41,-6.9,)|
Show InChI InChI=1S/C23H37F3N2O3S/c1-3-28(17-18-29)16-6-4-5-7-19-8-12-21(13-9-19)27(2)32(30,31)22-14-10-20(11-15-22)23(24,25)26/h10-11,14-15,19,21,29H,3-9,12-13,16-18H2,1-2H3/t19-,21-
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n/an/a 450n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50195963
PNG
((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...)
Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1
Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+
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n/an/a 450n/an/an/an/an/an/a



Universit£ degli Studi del Piemonte Orientale A. Avogadro

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cervisiae 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
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255433
PNG
(4-(4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(OCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H23BrN2O2S/c22-17-5-3-16(4-6-17)21-19-8-7-18(15-20(19)27-23-21)26-12-2-1-9-24-10-13-25-14-11-24/h3-8,15H,1-2,9-14H2
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n/an/a 480n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255602
PNG
(CHEMBL520926 | N-(4-(4-(1-(diethylamino)cyclopropy...)
Show SMILES CCN(CC)C1(CCCC[C@H]2CC[C@@H](CC2)N(C)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:13.16,wD:10.9,(4.17,-7.27,;2.84,-8.04,;2.84,-9.57,;1.51,-10.35,;.18,-9.57,;4.17,-10.35,;5.5,-9.57,;6.83,-10.35,;8.16,-9.57,;9.5,-10.35,;10.83,-9.57,;12.16,-10.35,;13.5,-9.57,;13.49,-8.03,;12.16,-7.27,;10.83,-8.03,;14.82,-7.26,;14.82,-5.73,;16.15,-8.03,;17.48,-8.8,;15.38,-9.36,;16.91,-6.69,;16.14,-5.37,;16.9,-4.02,;18.45,-4.02,;19.22,-5.34,;18.45,-6.68,;19.21,-2.69,;19.97,-1.36,;20.54,-3.45,;17.88,-1.92,;3.4,-11.66,;4.93,-11.66,)|
Show InChI InChI=1S/C25H39F3N2O2S/c1-4-30(5-2)24(18-19-24)17-7-6-8-20-9-13-22(14-10-20)29(3)33(31,32)23-15-11-21(12-16-23)25(26,27)28/h11-12,15-16,20,22H,4-10,13-14,17-19H2,1-3H3/t20-,22-
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n/an/a 500n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255473
PNG
(2-((4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy...)
Show SMILES CCN(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H25BrN2O2S/c1-2-24(12-13-25)11-3-4-14-26-18-9-10-19-20(15-18)27-23-21(19)16-5-7-17(22)8-6-16/h5-10,15,25H,2-4,11-14H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255476
PNG
(2-((3-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pr...)
Show SMILES CCN(CCO)CC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H19BrN2OS/c1-2-23(12-13-24)11-3-4-15-5-10-18-19(14-15)25-22-20(18)16-6-8-17(21)9-7-16/h5-10,14,24H,2,11-13H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255433
PNG
(4-(4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(OCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H23BrN2O2S/c22-17-5-3-16(4-6-17)21-19-8-7-18(15-20(19)27-23-21)26-12-2-1-9-24-10-13-25-14-11-24/h3-8,15H,1-2,9-14H2
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n/an/a 600n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255474
PNG
(4-(5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pen...)
Show SMILES Brc1ccc(cc1)-c1nsc2cc(CCCCCN3CCOCC3)ccc12
Show InChI InChI=1S/C22H25BrN2OS/c23-19-8-6-18(7-9-19)22-20-10-5-17(16-21(20)27-24-22)4-2-1-3-11-25-12-14-26-15-13-25/h5-10,16H,1-4,11-15H2
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n/an/a 650n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50128071
PNG
((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...)
Show SMILES Clc1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:25|
Show InChI InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2
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n/an/a 670n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255473
PNG
(2-((4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy...)
Show SMILES CCN(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H25BrN2O2S/c1-2-24(12-13-25)11-3-4-14-26-18-9-10-19-20(15-18)27-23-21(19)16-5-7-17(22)8-6-16/h5-10,15,25H,2-4,11-14H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase ERG7


(Saccharomyces cerevisiae)
BDBM50255432
PNG
(CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...)
Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3
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n/an/a 700n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255531
PNG
(4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pe...)
Show SMILES CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:14.17,wD:11.10,(19.37,-12.82,;18.05,-13.6,;18.08,-15.14,;16.75,-15.92,;15.41,-15.17,;14.08,-15.96,;19.42,-15.89,;20.74,-15.09,;22.1,-15.85,;23.42,-15.06,;24.77,-15.83,;26.11,-15.04,;27.44,-15.8,;28.77,-15.03,;28.77,-13.49,;27.44,-12.73,;26.11,-13.5,;30.11,-12.71,;30.1,-11.17,;31.45,-13.48,;31.47,-15.01,;32.78,-12.71,;32.78,-11.17,;34.11,-10.4,;34.12,-8.85,;32.78,-8.09,;32.78,-6.55,;31.46,-8.86,;31.46,-10.4,)|
Show InChI InChI=1S/C23H37ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-9,12-13,16-18H2,1-2H3/t19-,21-
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n/an/a 700n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255599
PNG
(CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)p...)
Show SMILES CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)|
Show InChI InChI=1S/C23H37F3N2O4S/c1-27(33(31,32)22-12-8-20(9-13-22)23(24,25)26)21-10-6-19(7-11-21)5-3-2-4-14-28(15-17-29)16-18-30/h8-9,12-13,19,21,29-30H,2-7,10-11,14-18H2,1H3/t19-,21-
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n/an/a 720n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255530
PNG
(CHEMBL516767 | N-(4-(3-(4-bromophenyl)benzo[d]isot...)
Show SMILES CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrN2O3S/c1-15(26)24(11-12-25)10-2-3-13-27-18-8-9-19-20(14-18)28-23-21(19)16-4-6-17(22)7-5-16/h4-9,14,25H,2-3,10-13H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50195962
PNG
((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...)
Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C
Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+
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n/an/a 850n/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
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50128063
PNG
(Allyl-{6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-...)
Show SMILES CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
Show InChI InChI=1S/C23H27BrN2OS/c1-3-14-26(2)15-6-4-5-7-16-27-20-12-13-21-22(17-20)28-25-23(21)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
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n/an/a 950n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50255530
PNG
(CHEMBL516767 | N-(4-(3-(4-bromophenyl)benzo[d]isot...)
Show SMILES CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrN2O3S/c1-15(26)24(11-12-25)10-2-3-13-27-18-8-9-19-20(14-18)28-23-21(19)16-4-6-17(22)7-5-16/h4-9,14,25H,2-3,10-13H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255533
PNG
(CHEMBL481200 | N-(4-(5-(diethylamino)pentyl)cycloh...)
Show SMILES CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:13.16,wD:10.9,(1.63,-6.03,;.29,-6.8,;.29,-8.34,;-1.04,-9.11,;-2.37,-8.34,;1.63,-9.11,;2.95,-8.34,;4.28,-9.11,;5.62,-8.34,;6.95,-9.11,;8.28,-8.34,;9.62,-9.11,;10.95,-8.34,;10.94,-6.79,;9.61,-6.03,;8.28,-6.8,;12.27,-6.03,;12.27,-4.49,;13.6,-6.79,;14.93,-7.56,;12.84,-8.12,;14.36,-5.45,;13.56,-4.14,;14.29,-2.78,;15.84,-2.74,;16.63,-4.05,;15.9,-5.41,;16.57,-1.4,;17.3,-.05,;17.92,-2.13,;15.23,-.66,)|
Show InChI InChI=1S/C23H37F3N2O2S/c1-4-28(5-2)18-8-6-7-9-19-10-14-21(15-11-19)27(3)31(29,30)22-16-12-20(13-17-22)23(24,25)26/h12-13,16-17,19,21H,4-11,14-15,18H2,1-3H3/t19-,21-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
Cycloartenol synthase


(Arabidopsis thaliana)
BDBM50255431
PNG
(4-(trifluoromethyl)phenyl 4-(5-(allyl(methyl)amino...)
Show SMILES CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(-5.96,-29.96,;-5.96,-31.5,;-4.63,-32.27,;-3.29,-31.5,;-1.96,-32.27,;-.63,-31.5,;.71,-32.27,;2.04,-31.5,;3.36,-32.27,;4.69,-31.51,;4.7,-29.97,;3.37,-29.19,;2.03,-29.96,;6.04,-29.2,;6.04,-27.66,;7.37,-29.98,;7.36,-31.52,;8.71,-29.21,;10.04,-29.99,;10,-31.53,;11.32,-32.32,;12.67,-31.58,;12.7,-30.03,;11.38,-29.24,;13.99,-32.38,;15.32,-33.15,;13.2,-33.7,;14.77,-31.05,;-7.3,-32.27,;-8.63,-31.5,;-9.96,-32.27,)|
Show InChI InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-
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PC cid
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UniChem

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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8


Bioorg Med Chem Lett 19: 718-23 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.040
BindingDB Entry DOI: 10.7270/Q2SF2W2N
More data for this
Ligand-Target Pair
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