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PubMed code 23711919

Compile data set for download or QSAR
Found 62 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-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429604
PNG
(CHEMBL2334539)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H38N2O10/c1-20(40)45-19-36(4)27-16-29(48-33(43)23-10-8-22(17-38)9-11-23)37(5)32(35(27,3)13-12-28(36)46-21(2)41)31(42)30-26(49-37)15-25(47-34(30)44)24-7-6-14-39-18-24/h6-11,14-15,18,27-29,31-32,42H,12-13,16,19H2,1-5H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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PubMed
n/an/a 0.900n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436344
PNG
(CHEMBL2398815)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)25-8-5-4-6-9-25)29(38)19-31(48-35(44)24-13-11-23(20-41)12-14-24)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-10-7-17-42-21-26/h4-14,17-18,21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436347
PNG
(CHEMBL2398812)
Show SMILES Cc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc5cc(oc(=O)c5[C@H](O)[C@H]43)-c3cccnc3)O2)c(C)c1
Show InChI InChI=1S/C42H42N2O8/c1-23-8-13-28(24(2)17-23)39-48-22-41(4)31-19-33(50-37(46)26-11-9-25(20-43)10-12-26)42(5)36(40(31,3)15-14-32(41)51-39)35(45)34-30(52-42)18-29(49-38(34)47)27-7-6-16-44-21-27/h6-13,16-18,21,31-33,35-36,39,45H,14-15,19,22H2,1-5H3/t31-,32+,33+,35+,36-,39-,40+,41+,42-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436348
PNG
(CHEMBL2398811)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1F
Show InChI InChI=1S/C40H37FN2O8/c1-38-15-14-30-39(2,21-47-37(50-30)25-8-4-5-9-26(25)41)29(38)18-31(49-35(45)23-12-10-22(19-42)11-13-23)40(3)34(38)33(44)32-28(51-40)17-27(48-36(32)46)24-7-6-16-43-20-24/h4-13,16-17,20,29-31,33-34,37,44H,14-15,18,21H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436343
PNG
(CHEMBL2398816)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38FNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436346
PNG
(CHEMBL2398813)
Show SMILES Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C42H42N2O8/c1-23-8-6-9-24(2)33(23)39-48-22-41(4)30-19-32(50-37(46)26-13-11-25(20-43)12-14-26)42(5)36(40(30,3)16-15-31(41)51-39)35(45)34-29(52-42)18-28(49-38(34)47)27-10-7-17-44-21-27/h6-14,17-18,21,30-32,35-36,39,45H,15-16,19,22H2,1-5H3/t30-,31+,32+,35+,36-,39-,40+,41+,42-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436353
PNG
(CHEMBL2398806)
Show SMILES Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-7-5-8-26(17-23)38-47-22-40(3)30-19-32(49-36(45)25-12-10-24(20-42)11-13-25)41(4)35(39(30,2)15-14-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)27-9-6-16-43-21-27/h5-13,16-18,21,30-32,34-35,38,44H,14-15,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436342
PNG
(CHEMBL2398817)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38ClNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436351
PNG
(CHEMBL2398808)
Show SMILES Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-7-11-26(12-8-23)38-47-22-40(3)30-19-32(49-36(45)25-13-9-24(20-42)10-14-25)41(4)35(39(30,2)16-15-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)27-6-5-17-43-21-27/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436341
PNG
(CHEMBL2398818)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Br)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38BrNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436354
PNG
(CHEMBL2398796)
Show SMILES CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1C
Show InChI InChI=1S/C38H45NO8/c1-6-7-14-30(40)45-29-19-27-36(3,16-15-28-37(27,4)21-43-35(46-28)24-13-9-8-11-22(24)2)33-32(41)31-26(47-38(29,33)5)18-25(44-34(31)42)23-12-10-17-39-20-23/h8-13,17-18,20,27-29,32-33,35,41H,6-7,14-16,19,21H2,1-5H3/t27-,28+,29+,32+,33-,35-,36+,37+,38-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436328
PNG
(CHEMBL2398804)
Show SMILES Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-8-5-6-10-27(23)38-47-22-40(3)30-19-32(49-36(45)25-13-11-24(20-42)12-14-25)41(4)35(39(30,2)16-15-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)26-9-7-17-43-21-26/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436340
PNG
(CHEMBL2398819)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38FNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436339
PNG
(CHEMBL2396678)
Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)24-9-6-5-7-10-24)29(38)20-31(48-35(43)23-12-14-26(45-4)15-13-23)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-11-8-18-41-21-25/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436350
PNG
(CHEMBL2398809)
Show SMILES Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C40H40FNO8/c1-22-7-9-24(10-8-22)37-46-21-39(3)29-19-31(48-35(44)23-11-13-26(41)14-12-23)40(4)34(38(29,2)16-15-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)25-6-5-17-42-20-25/h5-14,17-18,20,29-31,33-34,37,43H,15-16,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436338
PNG
(CHEMBL2396679)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Cl)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38ClNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436355
PNG
(CHEMBL2398797)
Show SMILES CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C37H43NO8/c1-5-6-14-29(39)44-28-19-26-35(2,16-15-27-36(26,3)21-42-34(45-27)22-11-8-7-9-12-22)32-31(40)30-25(46-37(28,32)4)18-24(43-33(30)41)23-13-10-17-38-20-23/h7-13,17-18,20,26-28,31-32,34,40H,5-6,14-16,19,21H2,1-4H3/t26-,27+,28+,31+,32-,34-,35+,36+,37-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436327
PNG
(CHEMBL2398805)
Show SMILES Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C40H40FNO8/c1-22-8-5-6-10-26(22)37-46-21-39(3)29-19-31(48-35(44)23-11-13-25(41)14-12-23)40(4)34(38(29,2)16-15-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)24-9-7-17-42-20-24/h5-14,17-18,20,29-31,33-34,37,43H,15-16,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436345
PNG
(CHEMBL2398814)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12
Show InChI InChI=1S/C44H40N2O8/c1-42-18-17-34-43(2,24-50-41(53-34)30-12-6-9-26-8-4-5-11-29(26)30)33(42)21-35(52-39(48)27-15-13-25(22-45)14-16-27)44(3)38(42)37(47)36-32(54-44)20-31(51-40(36)49)28-10-7-19-46-23-28/h4-16,19-20,23,33-35,37-38,41,47H,17-18,21,24H2,1-3H3/t33-,34+,35+,37+,38-,41-,42+,43+,44-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436336
PNG
(CHEMBL2396681)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Br)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38BrNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436337
PNG
(CHEMBL2396680)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-15-14-30-39(2,22-46-37(49-30)24-10-5-4-6-11-24)29(38)19-31(48-35(44)25-12-7-9-23(17-25)20-41)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-13-8-16-42-21-26/h4-13,16-18,21,29-31,33-34,37,43H,14-15,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436335
PNG
(CHEMBL2396682)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(C=O)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H39NO9/c1-38-16-15-30-39(2,22-46-37(49-30)25-8-5-4-6-9-25)29(38)19-31(48-35(44)24-13-11-23(21-42)12-14-24)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-10-7-17-41-20-26/h4-14,17-18,20-21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436349
PNG
(CHEMBL2398810)
Show SMILES COc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O9/c1-39-16-15-31-40(2,22-48-38(51-31)26-9-5-6-10-27(26)47-4)30(39)19-32(50-36(45)24-13-11-23(20-42)12-14-24)41(3)35(39)34(44)33-29(52-41)18-28(49-37(33)46)25-8-7-17-43-21-25/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436352
PNG
(CHEMBL2398807)
Show SMILES Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C40H40FNO8/c1-22-7-5-8-24(17-22)37-46-21-39(3)29-19-31(48-35(44)23-10-12-26(41)13-11-23)40(4)34(38(29,2)15-14-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)25-9-6-16-42-20-25/h5-13,16-18,20,29-31,33-34,37,43H,14-15,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436334
PNG
(CHEMBL2398798)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2F)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38FNO8/c1-37-16-15-29-38(2,21-45-36(48-29)22-10-5-4-6-11-22)28(37)19-30(47-34(43)24-13-7-8-14-25(24)40)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)23-12-9-17-41-20-23/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436333
PNG
(CHEMBL2398799)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38N2O10/c1-37-16-15-29-38(2,21-47-36(50-29)23-8-5-4-6-9-23)28(37)19-30(49-34(43)22-11-13-25(14-12-22)41(45)46)39(3)33(37)32(42)31-27(51-39)18-26(48-35(31)44)24-10-7-17-40-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50150482
PNG
(Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4...)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O
Show InChI InChI=1S/C31H35NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11,13-14,20,22-23,27H,9-10,12,15H2,1-6H3
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n/an/a 70n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436332
PNG
(CHEMBL2398800)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H41NO9/c1-38-16-15-30-39(2,22-46-37(49-30)23-10-6-5-7-11-23)29(38)20-31(48-35(43)24-12-8-14-26(18-24)45-4)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-13-9-17-41-21-25/h5-14,17-19,21,29-31,33-34,37,42H,15-16,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436331
PNG
(CHEMBL2398801)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2Cl)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38ClNO8/c1-37-16-15-29-38(2,21-45-36(48-29)22-10-5-4-6-11-22)28(37)19-30(47-34(43)24-13-7-8-14-25(24)40)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)23-12-9-17-41-20-23/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436330
PNG
(CHEMBL2398802)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccccc1C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)23-10-5-4-6-11-23)29(38)19-31(48-35(44)26-14-8-7-12-24(26)20-41)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)25-13-9-17-42-21-25/h4-14,17-18,21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436329
PNG
(CHEMBL2398803)
Show SMILES COc1ccccc1C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)23-11-6-5-7-12-23)29(38)20-31(48-35(43)25-14-8-9-15-26(25)45-4)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)24-13-10-18-41-21-24/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436348
PNG
(CHEMBL2398811)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1F
Show InChI InChI=1S/C40H37FN2O8/c1-38-15-14-30-39(2,21-47-37(50-30)25-8-4-5-9-26(25)41)29(38)18-31(49-35(45)23-12-10-22(19-42)11-13-23)40(3)34(38)33(44)32-28(51-40)17-27(48-36(32)46)24-7-6-16-43-20-24/h4-13,16-17,20,29-31,33-34,37,44H,14-15,18,21H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436330
PNG
(CHEMBL2398802)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccccc1C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)23-10-5-4-6-11-23)29(38)19-31(48-35(44)26-14-8-7-12-24(26)20-41)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)25-13-9-17-42-21-25/h4-14,17-18,21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436331
PNG
(CHEMBL2398801)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2Cl)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38ClNO8/c1-37-16-15-29-38(2,21-45-36(48-29)22-10-5-4-6-11-22)28(37)19-30(47-34(43)24-13-7-8-14-25(24)40)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)23-12-9-17-41-20-23/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436337
PNG
(CHEMBL2396680)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-15-14-30-39(2,22-46-37(49-30)24-10-5-4-6-11-24)29(38)19-31(48-35(44)25-12-7-9-23(17-25)20-41)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-13-8-16-42-21-26/h4-13,16-18,21,29-31,33-34,37,43H,14-15,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436334
PNG
(CHEMBL2398798)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2F)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38FNO8/c1-37-16-15-29-38(2,21-45-36(48-29)22-10-5-4-6-11-22)28(37)19-30(47-34(43)24-13-7-8-14-25(24)40)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)23-12-9-17-41-20-23/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436338
PNG
(CHEMBL2396679)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Cl)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38ClNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436344
PNG
(CHEMBL2398815)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)25-8-5-4-6-9-25)29(38)19-31(48-35(44)24-13-11-23(20-41)12-14-24)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-10-7-17-42-21-26/h4-14,17-18,21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436340
PNG
(CHEMBL2398819)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38FNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436354
PNG
(CHEMBL2398796)
Show SMILES CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1C
Show InChI InChI=1S/C38H45NO8/c1-6-7-14-30(40)45-29-19-27-36(3,16-15-28-37(27,4)21-43-35(46-28)24-13-9-8-11-22(24)2)33-32(41)31-26(47-38(29,33)5)18-25(44-34(31)42)23-12-10-17-39-20-23/h8-13,17-18,20,27-29,32-33,35,41H,6-7,14-16,19,21H2,1-5H3/t27-,28+,29+,32+,33-,35-,36+,37+,38-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436329
PNG
(CHEMBL2398803)
Show SMILES COc1ccccc1C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)23-11-6-5-7-12-23)29(38)20-31(48-35(43)25-14-8-9-15-26(25)45-4)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)24-13-10-18-41-21-24/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436353
PNG
(CHEMBL2398806)
Show SMILES Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-7-5-8-26(17-23)38-47-22-40(3)30-19-32(49-36(45)25-12-10-24(20-42)11-13-25)41(4)35(39(30,2)15-14-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)27-9-6-16-43-21-27/h5-13,16-18,21,30-32,34-35,38,44H,14-15,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a 3.73E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436355
PNG
(CHEMBL2398797)
Show SMILES CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C37H43NO8/c1-5-6-14-29(39)44-28-19-26-35(2,16-15-27-36(26,3)21-42-34(45-27)22-11-8-7-9-12-22)32-31(40)30-25(46-37(28,32)4)18-24(43-33(30)41)23-13-10-17-38-20-23/h7-13,17-18,20,26-28,31-32,34,40H,5-6,14-16,19,21H2,1-4H3/t26-,27+,28+,31+,32-,34-,35+,36+,37-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50429604
PNG
(CHEMBL2334539)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H38N2O10/c1-20(40)45-19-36(4)27-16-29(48-33(43)23-10-8-22(17-38)9-11-23)37(5)32(35(27,3)13-12-28(36)46-21(2)41)31(42)30-26(49-37)15-25(47-34(30)44)24-7-6-14-39-18-24/h6-11,14-15,18,27-29,31-32,42H,12-13,16,19H2,1-5H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 4.16E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436332
PNG
(CHEMBL2398800)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H41NO9/c1-38-16-15-30-39(2,22-46-37(49-30)23-10-6-5-7-11-23)29(38)20-31(48-35(43)24-12-8-14-26(18-24)45-4)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-13-9-17-41-21-25/h5-14,17-19,21,29-31,33-34,37,42H,15-16,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436336
PNG
(CHEMBL2396681)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Br)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38BrNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436335
PNG
(CHEMBL2396682)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(C=O)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H39NO9/c1-38-16-15-30-39(2,22-46-37(49-30)25-8-5-4-6-9-25)29(38)19-31(48-35(44)24-13-11-23(21-42)12-14-24)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-10-7-17-41-20-26/h4-14,17-18,20-21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436350
PNG
(CHEMBL2398809)
Show SMILES Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C40H40FNO8/c1-22-7-9-24(10-8-22)37-46-21-39(3)29-19-31(48-35(44)23-11-13-26(41)14-12-23)40(4)34(38(29,2)16-15-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)25-6-5-17-42-20-25/h5-14,17-18,20,29-31,33-34,37,43H,15-16,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 5.54E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436342
PNG
(CHEMBL2398817)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38ClNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436343
PNG
(CHEMBL2398816)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38FNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436341
PNG
(CHEMBL2398818)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Br)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38BrNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436339
PNG
(CHEMBL2396678)
Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)24-9-6-5-7-10-24)29(38)20-31(48-35(43)23-12-14-26(45-4)15-13-23)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-11-8-18-41-21-25/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436351
PNG
(CHEMBL2398808)
Show SMILES Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-7-11-26(12-8-23)38-47-22-40(3)30-19-32(49-36(45)25-13-9-24(20-42)10-14-25)41(4)35(39(30,2)16-15-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)27-6-5-17-43-21-27/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a 8.11E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436352
PNG
(CHEMBL2398807)
Show SMILES Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C40H40FNO8/c1-22-7-5-8-24(17-22)37-46-21-39(3)29-19-31(48-35(44)23-10-12-26(41)13-11-23)40(4)34(38(29,2)15-14-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)25-9-6-16-42-20-25/h5-13,16-18,20,29-31,33-34,37,43H,14-15,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 9.51E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436347
PNG
(CHEMBL2398812)
Show SMILES Cc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc5cc(oc(=O)c5[C@H](O)[C@H]43)-c3cccnc3)O2)c(C)c1
Show InChI InChI=1S/C42H42N2O8/c1-23-8-13-28(24(2)17-23)39-48-22-41(4)31-19-33(50-37(46)26-11-9-25(20-43)10-12-26)42(5)36(40(31,3)15-14-32(41)51-39)35(45)34-30(52-42)18-29(49-38(34)47)27-7-6-16-44-21-27/h6-13,16-18,21,31-33,35-36,39,45H,14-15,19,22H2,1-5H3/t31-,32+,33+,35+,36-,39-,40+,41+,42-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436327
PNG
(CHEMBL2398805)
Show SMILES Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C40H40FNO8/c1-22-8-5-6-10-26(22)37-46-21-39(3)29-19-31(48-35(44)23-11-13-25(41)14-12-23)40(4)34(38(29,2)16-15-30(39)49-37)33(43)32-28(50-40)18-27(47-36(32)45)24-9-7-17-42-20-24/h5-14,17-18,20,29-31,33-34,37,43H,15-16,19,21H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436333
PNG
(CHEMBL2398799)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C39H38N2O10/c1-37-16-15-29-38(2,21-47-36(50-29)23-8-5-4-6-9-23)28(37)19-30(49-34(43)22-11-13-25(14-12-22)41(45)46)39(3)33(37)32(42)31-27(51-39)18-26(48-35(31)44)24-10-7-17-40-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436345
PNG
(CHEMBL2398814)
Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12
Show InChI InChI=1S/C44H40N2O8/c1-42-18-17-34-43(2,24-50-41(53-34)30-12-6-9-26-8-4-5-11-29(26)30)33(42)21-35(52-39(48)27-15-13-25(22-45)14-16-27)44(3)38(42)37(47)36-32(54-44)20-31(51-40(36)49)28-10-7-19-46-23-28/h4-16,19-20,23,33-35,37-38,41,47H,17-18,21,24H2,1-3H3/t33-,34+,35+,37+,38-,41-,42+,43+,44-/m1/s1
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n/an/a>6.91E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436349
PNG
(CHEMBL2398810)
Show SMILES COc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O9/c1-39-16-15-31-40(2,22-48-38(51-31)26-9-5-6-10-27(26)47-4)30(39)19-32(50-36(45)24-13-11-23(20-42)12-14-24)41(3)35(39)34(44)33-29(52-41)18-28(49-37(33)46)25-8-7-17-43-21-25/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a>7.10E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436346
PNG
(CHEMBL2398813)
Show SMILES Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C42H42N2O8/c1-23-8-6-9-24(2)33(23)39-48-22-41(4)30-19-32(50-37(46)26-13-11-25(20-43)12-14-26)42(5)36(40(30,3)16-15-31(41)51-39)35(45)34-29(52-42)18-28(49-38(34)47)27-10-7-17-44-21-27/h6-14,17-18,21,30-32,35-36,39,45H,15-16,19,22H2,1-5H3/t30-,31+,32+,35+,36-,39-,40+,41+,42-/m1/s1
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n/an/a>7.12E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436328
PNG
(CHEMBL2398804)
Show SMILES Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1
Show InChI InChI=1S/C41H40N2O8/c1-23-8-5-6-10-27(23)38-47-22-40(3)30-19-32(49-36(45)25-13-11-24(20-42)12-14-25)41(4)35(39(30,2)16-15-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)26-9-7-17-43-21-26/h5-14,17-18,21,30-32,34-35,38,44H,15-16,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
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n/an/a>7.28E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50150482
PNG
(Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4...)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O
Show InChI InChI=1S/C31H35NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11,13-14,20,22-23,27H,9-10,12,15H2,1-6H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%