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Compile Data Set for Download or QSAR

Found 164 hits of ic50 data for polymerid = 7773   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50429605
PNG
(CHEMBL2334538)
Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO11/c1-20(39)45-19-36(4)27-17-29(48-33(42)22-9-11-24(44-6)12-10-22)37(5)32(35(27,3)14-13-28(36)46-21(2)40)31(41)30-26(49-37)16-25(47-34(30)43)23-8-7-15-38-18-23/h7-12,15-16,18,27-29,31-32,41H,13-14,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
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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n/an/a 0.900n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
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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n/an/a 0.900n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429610
PNG
(CHEMBL2334222)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO10/c1-20-9-11-23(12-10-20)33(42)47-29-17-27-35(4,14-13-28(45-22(3)40)36(27,5)19-44-21(2)39)32-31(41)30-26(48-37(29,32)6)16-25(46-34(30)43)24-8-7-15-38-18-24/h7-12,15-16,18,27-29,31-32,41H,13-14,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429603
PNG
(CHEMBL2334540)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38FNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-6-10-23(37)14-21)36(5)31(34(26,3)12-11-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-9-7-13-38-17-22/h6-10,13-15,17,26-28,30-31,41H,11-12,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429601
PNG
(CHEMBL2333808)
Show SMILES CCc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C38H43NO10/c1-7-23-10-12-24(13-11-23)34(43)48-30-18-28-36(4,15-14-29(46-22(3)41)37(28,5)20-45-21(2)40)33-32(42)31-27(49-38(30,33)6)17-26(47-35(31)44)25-9-8-16-39-19-25/h8-13,16-17,19,28-30,32-33,42H,7,14-15,18,20H2,1-6H3/t28-,29+,30+,32+,33-,36+,37+,38-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429602
PNG
(CHEMBL2334541)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Cl)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38ClNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-10-23(37)11-9-21)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429600
PNG
(CHEMBL2333809)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(Br)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38BrNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-6-10-23(37)14-21)36(5)31(34(26,3)12-11-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-9-7-13-38-17-22/h6-10,13-15,17,26-28,30-31,41H,11-12,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429599
PNG
(CHEMBL2333810)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38FNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-10-23(37)11-9-21)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429598
PNG
(CHEMBL2333811)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38BrNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-10-23(37)11-9-21)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429597
PNG
(CHEMBL2333812)
Show SMILES CSc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO10S/c1-20(39)44-19-36(4)27-17-29(47-33(42)22-9-11-24(49-6)12-10-22)37(5)32(35(27,3)14-13-28(36)45-21(2)40)31(41)30-26(48-37)16-25(46-34(30)43)23-8-7-15-38-18-23/h7-12,15-16,18,27-29,31-32,41H,13-14,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429596
PNG
(CHEMBL2333813)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(I)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38INO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-10-23(37)11-9-21)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429594
PNG
(CHEMBL2334195)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C=C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C38H41NO10/c1-7-23-10-12-24(13-11-23)34(43)48-30-18-28-36(4,15-14-29(46-22(3)41)37(28,5)20-45-21(2)40)33-32(42)31-27(49-38(30,33)6)17-26(47-35(31)44)25-9-8-16-39-19-25/h7-13,16-17,19,28-30,32-33,42H,1,14-15,18,20H2,2-6H3/t28-,29+,30+,32+,33-,36+,37+,38-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429595
PNG
(CHEMBL2334194)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(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)OC(C)=O
Show InChI InChI=1S/C36H38N2O12/c1-19(39)46-18-35(4)26-16-28(49-32(42)21-8-10-23(11-9-21)38(44)45)36(5)31(34(26,3)13-12-27(35)47-20(2)40)30(41)29-25(50-36)15-24(48-33(29)43)22-7-6-14-37-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429577
PNG
(CHEMBL2334212)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H37BrFNO10/c1-18(40)45-17-35(4)26-15-28(48-32(43)20-8-9-22(37)23(38)13-20)36(5)31(34(26,3)11-10-27(35)46-19(2)41)30(42)29-25(49-36)14-24(47-33(29)44)21-7-6-12-39-16-21/h6-9,12-14,16,26-28,30-31,42H,10-11,15,17H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429592
PNG
(CHEMBL2334197)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(I)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38INO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-6-10-23(37)14-21)36(5)31(34(26,3)12-11-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-9-7-13-38-17-22/h6-10,13-15,17,26-28,30-31,41H,11-12,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429591
PNG
(CHEMBL2334198)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1I)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38INO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)22-10-6-7-11-23(22)37)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)21-9-8-14-38-17-21/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429590
PNG
(CHEMBL2334199)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)N=[N+]=[N-])[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38N4O10/c1-19(41)46-18-35(4)26-16-28(49-32(44)21-8-10-23(11-9-21)39-40-37)36(5)31(34(26,3)13-12-27(35)47-20(2)42)30(43)29-25(50-36)15-24(48-33(29)45)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,43H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429593
PNG
(CHEMBL2334196)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO10/c1-20-9-7-10-23(15-20)33(42)47-29-17-27-35(4,13-12-28(45-22(3)40)36(27,5)19-44-21(2)39)32-31(41)30-26(48-37(29,32)6)16-25(46-34(30)43)24-11-8-14-38-18-24/h7-11,14-16,18,27-29,31-32,41H,12-13,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50433214
PNG
(CHEMBL2375701)
Show SMILES CCC(=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(=O)CC
Show InChI InChI=1S/C39H42N2O10/c1-6-30(42)47-21-38(4)27-18-29(50-35(45)23-12-10-22(19-40)11-13-23)39(5)34(37(27,3)15-14-28(38)49-31(43)7-2)33(44)32-26(51-39)17-25(48-36(32)46)24-9-8-16-41-20-24/h8-13,16-17,20,27-29,33-34,44H,6-7,14-15,18,21H2,1-5H3/t27-,28+,29+,33+,34-,37+,38+,39-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429576
PNG
(CHEMBL2334213)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(c(F)c1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H37FN2O12/c1-18(40)47-17-35(4)26-15-28(50-32(43)20-8-9-23(39(45)46)22(37)13-20)36(5)31(34(26,3)11-10-27(35)48-19(2)41)30(42)29-25(51-36)14-24(49-33(29)44)21-7-6-12-38-16-21/h6-9,12-14,16,26-28,30-31,42H,10-11,15,17H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/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) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429575
PNG
(CHEMBL2334214)
Show SMILES COc1ccc(cc1F)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H40FNO11/c1-19(40)46-18-36(4)27-16-29(49-33(43)21-9-10-24(45-6)23(38)14-21)37(5)32(35(27,3)12-11-28(36)47-20(2)41)31(42)30-26(50-37)15-25(48-34(30)44)22-8-7-13-39-17-22/h7-10,13-15,17,27-29,31-32,42H,11-12,16,18H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429574
PNG
(CHEMBL2334215)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H40FNO10/c1-19-9-10-22(14-24(19)38)33(43)48-29-16-27-35(4,12-11-28(46-21(3)41)36(27,5)18-45-20(2)40)32-31(42)30-26(49-37(29,32)6)15-25(47-34(30)44)23-8-7-13-39-17-23/h7-10,13-15,17,27-29,31-32,42H,11-12,16,18H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50433213
PNG
(CHEMBL2375702)
Show SMILES CC(C)C(=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(=O)C(C)C
Show InChI InChI=1S/C41H46N2O10/c1-22(2)35(45)49-21-40(6)29-18-31(52-37(47)25-12-10-24(19-42)11-13-25)41(7)34(39(29,5)15-14-30(40)51-36(46)23(3)4)33(44)32-28(53-41)17-27(50-38(32)48)26-9-8-16-43-20-26/h8-13,16-17,20,22-23,29-31,33-34,44H,14-15,18,21H2,1-7H3/t29-,30+,31+,33+,34-,39+,40+,41-/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Citation and Details
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)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429589
PNG
(CHEMBL2334200)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(Cl)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H38ClNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-6-10-23(37)14-21)36(5)31(34(26,3)12-11-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-9-7-13-38-17-22/h6-10,13-15,17,26-28,30-31,41H,11-12,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/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) expressed in CHO cells


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429573
PNG
(CHEMBL2334216)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H37BrFNO10/c1-18(40)45-17-35(4)26-15-28(48-32(43)22-9-8-21(37)13-23(22)38)36(5)31(34(26,3)11-10-27(35)46-19(2)41)30(42)29-25(49-36)14-24(47-33(29)44)20-7-6-12-39-16-20/h6-9,12-14,16,26-28,30-31,42H,10-11,15,17H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/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) expressed in CHO cells


Citation and Details
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)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429572
PNG
(CHEMBL2334217)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C#N)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H37FN2O10/c1-19(41)46-18-36(4)27-15-29(49-33(44)21-8-9-22(16-39)24(38)13-21)37(5)32(35(27,3)11-10-28(36)47-20(2)42)31(43)30-26(50-37)14-25(48-34(30)45)23-7-6-12-40-17-23/h6-9,12-14,17,27-29,31-32,43H,10-11,15,18H2,1-5H3/t27-,28+,29+,31+,32-,35+,36+,37-/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) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429571
PNG
(CHEMBL2334218)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)c(F)c1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H36F3NO10/c1-17(41)46-16-35(4)24-14-26(49-32(44)20-8-9-21(37)29(39)28(20)38)36(5)31(34(24,3)11-10-25(35)47-18(2)42)30(43)27-23(50-36)13-22(48-33(27)45)19-7-6-12-40-15-19/h6-9,12-13,15,24-26,30-31,43H,10-11,14,16H2,1-5H3/t24-,25+,26+,30+,31-,34+,35+,36-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429588
PNG
(CHEMBL2334201)
Show SMILES CSc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO10S/c1-20(39)44-19-36(4)27-17-29(47-33(42)22-9-7-11-24(15-22)49-6)37(5)32(35(27,3)13-12-28(36)45-21(2)40)31(41)30-26(48-37)16-25(46-34(30)43)23-10-8-14-38-18-23/h7-11,14-16,18,27-29,31-32,41H,12-13,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/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) expressed in CHO cells


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429611
PNG
(CHEMBL2334221)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)-c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C42H43NO10/c1-24(44)49-23-41(4)32-21-34(52-38(47)28-15-13-27(14-16-28)26-10-7-6-8-11-26)42(5)37(40(32,3)18-17-33(41)50-25(2)45)36(46)35-31(53-42)20-30(51-39(35)48)29-12-9-19-43-22-29/h6-16,19-20,22,32-34,36-37,46H,17-18,21,23H2,1-5H3/t32-,33+,34+,36+,37-,40+,41+,42-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50433206
PNG
(CHEMBL2375707)
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(=O)c1ccccc1
Show InChI InChI=1S/C42H40N2O10/c1-24(45)50-23-41(3)31-20-33(53-38(48)27-14-12-25(21-43)13-15-27)42(4)36(40(31,2)17-16-32(41)52-37(47)26-9-6-5-7-10-26)35(46)34-30(54-42)19-29(51-39(34)49)28-11-8-18-44-22-28/h5-15,18-19,22,31-33,35-36,46H,16-17,20,23H2,1-4H3/t31-,32+,33+,35+,36-,40+,41+,42-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Citation and Details
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)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429587
PNG
(CHEMBL2334202)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(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)OC(C)=O
Show InChI InChI=1S/C37H38N2O10/c1-20(40)45-19-36(4)27-16-29(48-33(43)23-9-6-8-22(14-23)17-38)37(5)32(35(27,3)12-11-28(36)46-21(2)41)31(42)30-26(49-37)15-25(47-34(30)44)24-10-7-13-39-18-24/h6-10,13-15,18,27-29,31-32,42H,11-12,16,19H2,1-5H3/t27-,28+,29+,31+,32-,35+,36+,37-/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) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429586
PNG
(CHEMBL2334203)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1C)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C37H41NO10/c1-20-10-7-8-12-24(20)33(42)47-29-17-27-35(4,14-13-28(45-22(3)40)36(27,5)19-44-21(2)39)32-31(41)30-26(48-37(29,32)6)16-25(46-34(30)43)23-11-9-15-38-18-23/h7-12,15-16,18,27-29,31-32,41H,13-14,17,19H2,1-6H3/t27-,28+,29+,31+,32-,35+,36+,37-/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) expressed in CHO cells


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50433212
PNG
(CHEMBL2375705)
Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O
Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)48-28-13-14-36(3)27(37(28,4)20-46-21(2)41)17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36)32(43)31-26(50-38)16-25(47-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429612
PNG
(CHEMBL2334220)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H39NO10/c1-20(38)43-19-35(4)26-17-28(46-32(41)22-10-7-6-8-11-22)36(5)31(34(26,3)14-13-27(35)44-21(2)39)30(40)29-25(47-36)16-24(45-33(29)42)23-12-9-15-37-18-23/h6-12,15-16,18,26-28,30-31,40H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/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) expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50429585
PNG
(CHEMBL2334204)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C38H41NO10/c1-7-23-10-8-11-24(16-23)34(43)48-30-18-28-36(4,14-13-29(46-22(3)41)37(28,5)20-45-21(2)40)33-32(42)31-27(49-38(30,33)6)17-26(47-35(31)44)25-12-9-15-39-19-25/h7-12,15-17,19,28-30,32-33,42H,1,13-14,18,20H2,2-6H3/t28-,29+,30+,32+,33-,36+,37+,38-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50433211
PNG
(CHEMBL2375603)
Show SMILES CCC(=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/C38H40N2O10/c1-6-30(42)46-20-37(4)27-17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36(27,3)14-13-28(37)47-21(2)41)32(43)31-26(50-38)16-25(48-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
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