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Compile Data Set for Download or QSAR

Found 245 hits Enz. Inhib. hit(s) with Target = 'Squalene synthetase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Squalene synthetase


(Homo sapiens)
BDBM50075719
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against human microsomal quinuclidine squalene synthase (SQS)


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268627
PNG
(CHEMBL496801 | N-Hydroxy-2-phosphono-5-(3-phenoxyp...)
Show SMILES ONC(=O)C(CCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O
Show InChI InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)/p-2
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300n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268625
PNG
(CHEMBL447414 | N-[3-(3-Phenoxyphenyl)propyl]phosph...)
Show SMILES CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O
Show InChI InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)/p-2
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520n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268510
PNG
(CHEMBL495624 | N-[3-(3-Phenoxyphenyl)propyl]phosph...)
Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)/p-2
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530n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50388398
PNG
(CHEMBL561057 | SQ-109)
Show SMILES CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+
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740n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268509
PNG
(CHEMBL495623 | N-[3-(3-(3,4-Dichlorophenoxy)phenyl...)
Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H18Cl2NO5P/c18-15-7-6-14(10-16(15)19)25-13-5-1-3-12(9-13)4-2-8-20-17(21)11-26(22,23)24/h1,3,5-7,9-10H,2,4,8,11H2,(H,20,21)(H2,22,23,24)/p-2
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740n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268566
PNG
(CHEMBL497618 | N-Methyl-N-[3-(3-phenoxyphenyl)prop...)
Show SMILES CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C18H22NO5P/c1-19(18(20)14-25(21,22)23)12-6-8-15-7-5-11-17(13-15)24-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H2,21,22,23)/p-2
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1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268511
PNG
(CHEMBL497634 | N-[3-(3-(4-Chlorophenoxy)phenyl)pro...)
Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2
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1.10E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268562
PNG
(CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...)
Show SMILES ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C17H18Cl2NO6P/c18-15-7-6-14(10-16(15)19)26-13-5-1-3-12(9-13)4-2-8-20(22)17(21)11-27(23,24)25/h1,3,5-7,9-10,22H,2,4,8,11H2,(H2,23,24,25)/p-2
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1.60E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268626
PNG
(CHEMBL524084 | N-[2-(3-Phenoxyphenyl)ethyl]phospho...)
Show SMILES [O-]P([O-])(=O)CC(=O)NCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H18NO5P/c18-16(12-23(19,20)21)17-10-9-13-5-4-8-15(11-13)22-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,17,18)(H2,19,20,21)/p-2
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6.20E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268676
PNG
(2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipo...)
Show SMILES [O-]P([O-])(=O)CC(=O)CCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H21O5P/c19-16(14-24(20,21)22)9-5-4-7-15-8-6-12-18(13-15)23-17-10-2-1-3-11-17/h1-3,6,8,10-13H,4-5,7,9,14H2,(H2,20,21,22)/p-2
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2.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268628
PNG
(CHEMBL496802 | N-[4-(3-Phenoxyphenyl)butyl]phospho...)
Show SMILES [O-]P([O-])(=O)CC(=O)NCCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H22NO5P/c20-18(14-25(21,22)23)19-12-5-4-7-15-8-6-11-17(13-15)24-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20)(H2,21,22,23)/p-2
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268512
PNG
(3-(3-Phenoxyphenyl)propylphosphinylmethylphosphoni...)
Show SMILES [O-]P([O-])(=O)CP([O-])(=O)CCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H22O6P2/c18-24(19,14-25(20,21)22)12-5-4-7-15-8-6-11-17(13-15)23-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,18,19)(H2,20,21,22)/p-3
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268563
PNG
(CHEMBL497617 | N-Hydroxy-N-[3-(3-phenoxyphenyl)pro...)
Show SMILES ON(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C17H20NO6P/c19-17(13-25(21,22)23)18(20)11-5-7-14-6-4-10-16(12-14)24-15-8-2-1-3-9-15/h1-4,6,8-10,12,20H,5,7,11,13H2,(H2,21,22,23)/p-2
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3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268564
PNG
(CHEMBL497815 | N-[3-(4-Biphenyl)propyl]phosphonoac...)
Show SMILES OP(O)(=O)CC(=O)NCCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H20NO4P/c19-17(13-23(20,21)22)18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,18,19)(H2,20,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268565
PNG
(CHEMBL497410 | N-[3-(3-Phenoxyphenyl)propyl]sulfoa...)
Show SMILES OS(=O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H19NO5S/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H,20,21,22)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268679
PNG
(CHEMBL523897 | N-[3-(3-Phenoxyphenyl)propyl]phosph...)
Show SMILES [O-]C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H19NO4/c20-17(13-18(21)22)19-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,19,20)(H,21,22)/p-1
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268678
PNG
(CHEMBL525377 | N-Hydroxy-N-[3-(4-methylbiphenyl)pr...)
Show SMILES Cc1ccc(cc1)-c1ccc(CCCN(O)C(=O)CP(O)(O)=O)cc1
Show InChI InChI=1S/C18H22NO5P/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)3-2-12-19(21)18(20)13-25(22,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,22,23,24)
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268677
PNG
(CHEMBL498628 | N-[3-(3-Phenoxyphenyl)propyl]phosph...)
Show SMILES [O-]P([O-])(=O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)13-25(21,22)17-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12,17H,5,7,11,13H2,(H2,18,19,20)/p-2
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50268629
PNG
(3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotas...)
Show SMILES [O-]P([O-])(=O)CC(=O)OCCCc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H19O6P/c18-17(13-24(19,20)21)22-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H2,19,20,21)/p-2
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>3.00E+4n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50292336
PNG
(CHEMBL507677 | desacetoxy-zaragozic acid)
Show SMILES C[C@@H](CCCC[C@]12O[C@@]([C@H](OC(=O)CC\C=C\[C@@H](C)CCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25-,26+,30-,31-,32-,36+,37-,38+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50038096
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29?,33?,34?,35?/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against HepG2 Squalene Synthase (SQS)


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50038102
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)OCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C43H56O16/c1-28(33(56-30(3)44)29(2)27-31-19-13-11-14-20-31)23-24-41-34(45)35(43(59-41,39(50)51)42(53,38(48)49)36(58-41)37(46)47)57-40(52)55-26-18-10-8-6-4-5-7-9-17-25-54-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,45,53H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)


J Med Chem 37: 4031-51 (1994)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50038089
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-30-29(39)35(49-31(32(40)41)36(46,33(42)43)37(30,50-35)34(44)45)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39,46H,2,5-13,17,20-23H2,1,3-4H3,(H,40,41)(H,42,43)(H,44,45)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)


J Med Chem 37: 4031-51 (1994)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50292333
PNG
(CHEMBL505374 | zaragozic acid C)
Show SMILES C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338903
PNG
(CHEMBL1684849 | Ethyl 1-{4-[{4-chloro-2-[(2-fluoro...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1F
Show InChI InChI=1S/C30H38ClFN2O5/c1-5-39-29(38)20-14-16-33(17-15-20)26(35)12-13-27(36)34(19-30(2,3)4)25-11-10-21(31)18-23(25)28(37)22-8-6-7-9-24(22)32/h6-11,18,20,28,37H,5,12-17,19H2,1-4H3
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n/an/a 0.450n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50285068
PNG
((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...)
Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene synthase (SQS) obtained from HepG2 cells


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50285068
PNG
((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...)
Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1
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n/an/a 0.520n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against HepG2 Squalene Synthase (SQS)


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50038093
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)


J Med Chem 37: 4031-51 (1994)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50403481
PNG
(CHEMBL2115091)
Show SMILES C[C@H](NC(=O)C[C@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20+,22+/m0/s1
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n/an/a 0.730n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against HepG2 Squalene Synthase (SQS)


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338880
PNG
(CHEMBL1684826 | Ethyl 1-{4-[{4-chloro-2-[(2-chloro...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
Show InChI InChI=1S/C30H38Cl2N2O5/c1-5-39-29(38)20-14-16-33(17-15-20)26(35)12-13-27(36)34(19-30(2,3)4)25-11-10-21(31)18-23(25)28(37)22-8-6-7-9-24(22)32/h6-11,18,20,28,37H,5,12-17,19H2,1-4H3
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n/an/a 0.850n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50038106
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C37H52O14/c1-5-6-7-8-9-10-11-12-16-19-27(39)49-30-29(40)35(50-31(32(41)42)36(47,33(43)44)37(30,51-35)34(45)46)21-20-23(2)28(48-25(4)38)24(3)22-26-17-14-13-15-18-26/h13-15,17-18,24,28-31,40,47H,2,5-12,16,19-22H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t24-,28-,29-,30-,31?,35?,36?,37?/m1/s1
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n/an/a 0.960n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)


J Med Chem 37: 4031-51 (1994)

More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50292846
PNG
(4-(4-Biphenyl)butyldiphosphonic Acid Tetrapotassiu...)
Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)P([O-])([O-])=O
Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4
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n/an/a 1n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338910
PNG
(1-{3-[{4-Chloro-2-[(2,3-dimethoxyphenyl)hydroxymet...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1OC
Show InChI InChI=1S/C32H43ClN2O7/c1-7-42-31(39)21-15-17-34(18-16-21)27(36)13-14-28(37)35(20-32(2,3)4)25-12-11-22(33)19-24(25)29(38)23-9-8-10-26(40-5)30(23)41-6/h8-12,19,21,29,38H,7,13-18,20H2,1-6H3
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n/an/a 1.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338907
PNG
(CHEMBL1684996 | Ethyl 1-{4-[{4-chloro-2-[hydroxy(2...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1OC
Show InChI InChI=1S/C31H41ClN2O6/c1-6-40-30(38)21-15-17-33(18-16-21)27(35)13-14-28(36)34(20-31(2,3)4)25-12-11-22(32)19-24(25)29(37)23-9-7-8-10-26(23)39-5/h7-12,19,21,29,37H,6,13-18,20H2,1-5H3
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n/an/a 1.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338892
PNG
(Benzyl 4-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy...)
Show SMILES CC(C)(C)CN(C(=O)CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)c1ccc(Cl)cc1C(O)c1ccccc1Cl
Show InChI InChI=1S/C34H39Cl2N3O5/c1-34(2,3)23-39(29-14-13-25(35)21-27(29)32(42)26-11-7-8-12-28(26)36)31(41)16-15-30(40)37-17-19-38(20-18-37)33(43)44-22-24-9-5-4-6-10-24/h4-14,21,32,42H,15-20,22-23H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50285065
PNG
((S)-2-{[(1S,2S)-2-Biphenyl-4-yl-3-(3,4-dichloro-ph...)
Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27Cl2NO5/c1-17(31-26(32)15-22(28(35)36)16-27(33)34)23(13-18-7-12-24(29)25(30)14-18)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,14,17,22-23H,13,15-16H2,1H3,(H,31,32)(H,33,34)(H,35,36)/t17-,22-,23+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against HepG2 Squalene Synthase (SQS)


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338883
PNG
(1-{4-[{4-Chloro-2-[(2-chlorophenyl)(hydroxy)methyl...)
Show SMILES CNC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
Show InChI InChI=1S/C29H37Cl2N3O4/c1-29(2,3)18-34(26(36)12-11-25(35)33-15-13-19(14-16-33)28(38)32-4)24-10-9-20(30)17-22(24)27(37)21-7-5-6-8-23(21)31/h5-10,17,19,27,37H,11-16,18H2,1-4H3,(H,32,38)
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338919
PNG
(1-{3-[{4-Chloro-2-[(2,3-dimethoxyphenyl)hydroxymet...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1cccc(OC)c1OC
Show InChI InChI=1S/C32H43ClN2O7/c1-7-42-31(39)21-10-9-17-34(19-21)27(36)15-16-28(37)35(20-32(2,3)4)25-14-13-22(33)18-24(25)29(38)23-11-8-12-26(40-5)30(23)41-6/h8,11-14,18,21,29,38H,7,9-10,15-17,19-20H2,1-6H3
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338934
PNG
(1-{4-[{4-Chloro-2-[hydroxy(2-methoxyphenyl)methyl]...)
Show SMILES COc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C29H37ClN2O6/c1-29(2,3)18-32(26(34)14-13-25(33)31-15-7-8-19(17-31)28(36)37)23-12-11-20(30)16-22(23)27(35)21-9-5-6-10-24(21)38-4/h5-6,9-12,16,19,27,35H,7-8,13-15,17-18H2,1-4H3,(H,36,37)
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50208574
PNG
((R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyr...)
Show SMILES CO[C@H]1CN(C[C@H]1O)c1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1
Show InChI InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Instituto de Parasitolog£a y Biomedicina"L£pez-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Squalene synthetase


(Homo sapiens)
BDBM50338887
PNG
(CHEMBL1684833 | N-Butyl-1-{4-[{4-chloro-2-[(2-chlo...)
Show SMILES CCCCNC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
Show InChI InChI=1S/C32H43Cl2N3O4/c1-5-6-17-35-31(41)22-15-18-36(19-16-22)28(38)13-14-29(39)37(21-32(2,3)4)27-12-11-23(33)20-25(27)30(40)24-9-7-8-10-26(24)34/h7-12,20,22,30,40H,5-6,13-19,21H2,1-4H3,(H,35,41)
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338925
PNG
(1-{4-[{4-Chloro-2-[hydroxy(2-methoxyphenyl)methyl]...)
Show SMILES COc1ccccc1C(O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C29H37ClN2O6/c1-29(2,3)18-32(26(34)12-11-25(33)31-15-13-19(14-16-31)28(36)37)23-10-9-20(30)17-22(23)27(35)21-7-5-6-8-24(21)38-4/h5-10,17,19,27,35H,11-16,18H2,1-4H3,(H,36,37)
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n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50292852
PNG
(1-Phosphono-4-[3-(benzofuran-5-yloxy)phenyl]butyls...)
Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc3occc3c2)c1)S([O-])(=O)=O
Show InChI InChI=1S/C18H19O8PS/c19-27(20,21)18(28(22,23)24)6-2-4-13-3-1-5-15(11-13)26-16-7-8-17-14(12-16)9-10-25-17/h1,3,5,7-12,18H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3
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n/an/a 2n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338937
PNG
(1-{3-[{4-Chloro-2-[(2,3-dimethoxyphenyl)hydroxymet...)
Show SMILES COc1cccc(C(O)c2cc(Cl)ccc2N(CC(C)(C)C)C(=O)CCC(=O)N2CCCC(C2)C(O)=O)c1OC
Show InChI InChI=1S/C30H39ClN2O7/c1-30(2,3)18-33(26(35)14-13-25(34)32-15-7-8-19(17-32)29(37)38)23-12-11-20(31)16-22(23)27(36)21-9-6-10-24(39-4)28(21)40-5/h6,9-12,16,19,27,36H,7-8,13-15,17-18H2,1-5H3,(H,37,38)
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338905
PNG
(CHEMBL1684994 | Ethyl 1-{4-[{4-chloro-2-[(2-chloro...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccc(F)cc1Cl
Show InChI InChI=1S/C30H37Cl2FN2O5/c1-5-40-29(39)19-12-14-34(15-13-19)26(36)10-11-27(37)35(18-30(2,3)4)25-9-6-20(31)16-23(25)28(38)22-8-7-21(33)17-24(22)32/h6-9,16-17,19,28,38H,5,10-15,18H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50292334
PNG
(CHEMBL445291 | zaragozic acid F)
Show SMILES CCCCCCC[C@@H](CCC[C@]12O[C@@]([C@H](OC(=O)CC\C=C\[C@@H](C)CCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)OC(C)=O
Show InChI InChI=1S/C38H54O14/c1-4-5-6-7-11-21-28(49-26(3)39)22-15-24-36-30(41)31(38(52-36,35(46)47)37(48,34(44)45)32(51-36)33(42)43)50-29(40)23-13-12-16-25(2)17-14-20-27-18-9-8-10-19-27/h8-10,12,16,18-19,25,28,30-32,41,48H,4-7,11,13-15,17,20-24H2,1-3H3,(H,42,43)(H,44,45)(H,46,47)/b16-12+/t25-,28+,30-,31-,32-,36+,37-,38+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50281106
PNG
((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Show SMILES CCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C35H48O15/c1-5-6-7-8-9-10-14-19-46-32(44)48-27-26(37)33(49-28(29(38)39)34(45,30(40)41)35(27,50-33)31(42)43)18-17-21(2)25(47-23(4)36)22(3)20-24-15-12-11-13-16-24/h11-13,15-16,22,25-28,37,45H,2,5-10,14,17-20H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t22-,25-,26-,27-,28-,33+,34-,35+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans squalene synthase(SQS)


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338891
PNG
(CHEMBL1684837 | Ethyl 4-{4-[{4-chloro-2-[(2-chloro...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
Show InChI InChI=1S/C29H37Cl2N3O5/c1-5-39-28(38)33-16-14-32(15-17-33)25(35)12-13-26(36)34(19-29(2,3)4)24-11-10-20(30)18-22(24)27(37)21-8-6-7-9-23(21)31/h6-11,18,27,37H,5,12-17,19H2,1-4H3
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n/an/a 2.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens)
BDBM50338885
PNG
(1-{4-[{4-Chloro-2-[(2-chlorophenyl)(hydroxy)methyl...)
Show SMILES CCNC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1Cl
Show InChI InChI=1S/C30H39Cl2N3O4/c1-5-33-29(39)20-14-16-34(17-15-20)26(36)12-13-27(37)35(19-30(2,3)4)25-11-10-21(31)18-23(25)28(38)22-8-6-7-9-24(22)32/h6-11,18,20,28,38H,5,12-17,19H2,1-4H3,(H,33,39)
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n/an/a 2.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase


Citation and Details
More data for this
Ligand-Target Pair
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