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PubMed code 16919944

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 140n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 170n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175017
PNG
(3,6,8-trihydroxy-2-methoxy-1-(3-methylbut-2-enyl)-...)
Show SMILES COc1c(O)cc2oc3c(c(O)cc(O)c3c(=O)c2c1CC=C(C)C)C(C)(C)C=C
Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-15(26)10-14(25)19-21(28)18-13(9-8-12(2)3)22(29-6)16(27)11-17(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175017
PNG
(3,6,8-trihydroxy-2-methoxy-1-(3-methylbut-2-enyl)-...)
Show SMILES COc1c(O)cc2oc3c(c(O)cc(O)c3c(=O)c2c1CC=C(C)C)C(C)(C)C=C
Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-15(26)10-14(25)19-21(28)18-13(9-8-12(2)3)22(29-6)16(27)11-17(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175018
PNG
(4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-...)
Show SMILES CC1Oc2cc3oc4c(CC=C(C)C)c(O)c(O)cc4c(=O)c3c(O)c2C1(C)C
Show InChI InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3
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n/an/a 2.32E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1cc2C=CC(C)(C)Oc2cc1O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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n/an/a 2.48E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175015
PNG
(5,8,10-trihydroxy-3,3-dimethyl-11-(2-methylbut-3-e...)
Show SMILES CC(C)(C=C)c1c(O)cc(O)c2c1oc1c3C=CC(C)(C)Oc3c(O)cc1c2=O
Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)17-14(25)10-13(24)16-18(27)12-9-15(26)20-11(19(12)28-21(16)17)7-8-23(4,5)29-20/h6-10,24-26H,1H2,2-5H3
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n/an/a 2.88E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175015
PNG
(5,8,10-trihydroxy-3,3-dimethyl-11-(2-methylbut-3-e...)
Show SMILES CC(C)(C=C)c1c(O)cc(O)c2c1oc1c3C=CC(C)(C)Oc3c(O)cc1c2=O
Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)17-14(25)10-13(24)16-18(27)12-9-15(26)20-11(19(12)28-21(16)17)7-8-23(4,5)29-20/h6-10,24-26H,1H2,2-5H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50193718
PNG
(2-(2,4-dihydroxy-phenyl)-5-hydroxy-8,8-dimethyl-3-...)
Show SMILES CC(C)=CCc1c(oc2cc3OC(C)(C)C=Cc3c(O)c2c1=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-23(29)21-20(30-24(17)15-8-6-14(26)11-18(15)27)12-19-16(22(21)28)9-10-25(3,4)31-19/h5-6,8-12,26-28H,7H2,1-4H3
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n/an/a 4.16E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50193722
PNG
(4-(2,4-dimethylpent-3-en-2-yl)-1,6,7-trihydroxy-3-...)
Show SMILES CC(C)=CC(C)(C)c1c(C)cc(O)c2c1oc1cc(O)c(O)cc1c2=O
Show InChI InChI=1S/C21H22O5/c1-10(2)9-21(4,5)18-11(3)6-15(24)17-19(25)12-7-13(22)14(23)8-16(12)26-20(17)18/h6-9,22-24H,1-5H3
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n/an/a 4.16E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50193720
PNG
((S)-5,7,7'-trihydroxy-8-(3-hydroxy-3-methylbutyl)-...)
Show SMILES CC(C)(O)CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc2C=CC(C)(C)Oc2cc1O
Show InChI InChI=1S/C25H28O7/c1-24(2,30)7-6-14-16(26)10-18(28)22-19(29)12-21(31-23(14)22)15-9-13-5-8-25(3,4)32-20(13)11-17(15)27/h5,8-11,21,26-28,30H,6-7,12H2,1-4H3/t21-/m0/s1
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n/an/a 4.48E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175018
PNG
(4,7,8-trihydroxy-2,3,3-trimethyl-9-(3-methylbut-2-...)
Show SMILES CC1Oc2cc3oc4c(CC=C(C)C)c(O)c(O)cc4c(=O)c3c(O)c2C1(C)C
Show InChI InChI=1S/C23H24O6/c1-10(2)6-7-12-19(25)14(24)8-13-20(26)17-15(29-22(12)13)9-16-18(21(17)27)23(4,5)11(3)28-16/h6,8-9,11,24-25,27H,7H2,1-5H3
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n/an/a 5.68E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175019
PNG
(2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-...)
Show SMILES COc1cc(O)c2c(oc3cc(O)c(O)c(CC=C(C)C)c3c2=O)c1C(C)(C)C=C
Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
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n/an/a 5.76E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50193720
PNG
((S)-5,7,7'-trihydroxy-8-(3-hydroxy-3-methylbutyl)-...)
Show SMILES CC(C)(O)CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc2C=CC(C)(C)Oc2cc1O
Show InChI InChI=1S/C25H28O7/c1-24(2,30)7-6-14-16(26)10-18(28)22-19(29)12-21(31-23(14)22)15-9-13-5-8-25(3,4)32-20(13)11-17(15)27/h5,8-11,21,26-28,30H,6-7,12H2,1-4H3/t21-/m0/s1
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n/an/a 5.92E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175013
PNG
(1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-m...)
Show SMILES CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C
Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3
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n/an/a 6.80E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175013
PNG
(1,3,6,7-tetrahydroxy-5-(3-methylbut-2-enyl)-2-(2-m...)
Show SMILES CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C
Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-14(24)10-16-17(21(18)28)20(27)13-9-15(25)19(26)12(22(13)29-16)8-7-11(2)3/h6-7,9-10,24-26,28H,1,8H2,2-5H3
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n/an/a 7.44E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175019
PNG
(2,3,8-trihydroxy-6-methoxy-1-(3-methylbut-2-enyl)-...)
Show SMILES COc1cc(O)c2c(oc3cc(O)c(O)c(CC=C(C)C)c3c2=O)c1C(C)(C)C=C
Show InChI InChI=1S/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
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n/an/a 7.52E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50193721
PNG
(2-(2,4-dihydroxy-phenyl)-5-hydroxy-8,8-dimethyl-8H...)
Show SMILES CC1(C)Oc2cc3oc(cc(=O)c3c(O)c2C=C1)-c1ccc(O)cc1O
Show InChI InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-9,21-22,24H,1-2H3
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n/an/a 7.76E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1cc2C=CC(C)(C)Oc2cc1O
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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n/an/a 8.24E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50193722
PNG
(4-(2,4-dimethylpent-3-en-2-yl)-1,6,7-trihydroxy-3-...)
Show SMILES CC(C)=CC(C)(C)c1c(C)cc(O)c2c1oc1cc(O)c(O)cc1c2=O
Show InChI InChI=1S/C21H22O5/c1-10(2)9-21(4,5)18-11(3)6-15(24)17-19(25)12-7-13(22)14(23)8-16(12)26-20(17)18/h6-9,22-24H,1-5H3
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n/an/a 8.96E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50193723
PNG
((S)-2-(2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl)...)
Show SMILES CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)c(O)cc1O
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(19(27)10-18(15)26)22-12-21(29)24-23(31-22)11-20(28)16(25(24)30)8-6-14(3)4/h5-6,9-11,22,26-28,30H,7-8,12H2,1-4H3/t22-/m0/s1
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n/an/a 8.96E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175012
PNG
(1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)-2-(2-m...)
Show SMILES CC(C)=CCc1c(O)c(c(O)c2c1oc1cc(O)c(O)cc1c2=O)C(C)(C)C=C
Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-20(27)12(8-7-11(2)3)22-17(21(18)28)19(26)13-9-14(24)15(25)10-16(13)29-22/h6-7,9-10,24-25,27-28H,1,8H2,2-5H3
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n/an/a 9.60E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175012
PNG
(1,3,6,7-tetrahydroxy-4-(3-methylbut-2-enyl)-2-(2-m...)
Show SMILES CC(C)=CCc1c(O)c(c(O)c2c1oc1cc(O)c(O)cc1c2=O)C(C)(C)C=C
Show InChI InChI=1S/C23H24O6/c1-6-23(4,5)18-20(27)12(8-7-11(2)3)22-17(21(18)28)19(26)13-9-14(24)15(25)10-16(13)29-22/h6-7,9-10,24-25,27-28H,1,8H2,2-5H3
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n/an/a 1.12E+5n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50175014
PNG
(1,5,6-trihydroxy-3-methoxy-4-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(C)(C)C=C
Show InChI InChI=1S/C19H18O6/c1-5-19(2,3)14-12(24-4)8-11(21)13-15(22)9-6-7-10(20)16(23)17(9)25-18(13)14/h5-8,20-21,23H,1H2,2-4H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50175014
PNG
(1,5,6-trihydroxy-3-methoxy-4-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(C)(C)C=C
Show InChI InChI=1S/C19H18O6/c1-5-19(2,3)14-12(24-4)8-11(21)13-15(22)9-6-7-10(20)16(23)17(9)25-18(13)14/h5-8,20-21,23H,1H2,2-4H3
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n/an/a 1.48E+5n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 expressed in Hi5 cells


Bioorg Med Chem Lett 16: 5580-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.032
BindingDB Entry DOI: 10.7270/Q2PV6K0R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%