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Compile Data Set for Download or QSAR

Found 162 hits of ic50 data for polymerid = 50001156   
Target/Host
(Institution)
LigandTarget/Host
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 1


(Mus musculus)
BDBM50462683
PNG
(CHEMBL4247249)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C28H38N2O2S/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)32-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450346
PNG
(CHEMBL300883)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccc(OC)cc2)-c2ccc(OC)cc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C48H58N6O5S2/c1-33(2)49-48(55)54(29-9-7-11-31-60-46-50-42(34-13-21-38(56-3)22-14-34)43(51-46)35-15-23-39(57-4)24-16-35)30-10-8-12-32-61-47-52-44(36-17-25-40(58-5)26-18-36)45(53-47)37-19-27-41(59-6)28-20-37/h13-28,33H,7-12,29-32H2,1-6H3,(H,49,55)(H,50,51)(H,52,53)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285443
PNG
(Benzooxazol-2-yl-[5-(4,5-diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C34H40N4OS/c1-2-3-4-5-15-24-38(34-35-29-22-13-14-23-30(29)39-34)25-16-8-17-26-40-33-36-31(27-18-9-6-10-19-27)32(37-33)28-20-11-7-12-21-28/h6-7,9-14,18-23H,2-5,8,15-17,24-26H2,1H3,(H,36,37)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462702
PNG
(CHEMBL4241747)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H37N3OS/c1-19(2)21-13-12-14-22(20(3)4)26(21)30-25(31)17-8-6-5-7-11-18-32-27-28-23-15-9-10-16-24(23)29-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,28,29)(H,30,31)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462684
PNG
(CHEMBL4243015)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C27H36N2O2S/c1-19(2)21-13-12-14-22(20(3)4)26(21)29-25(30)17-8-6-5-7-11-18-32-27-28-23-15-9-10-16-24(23)31-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,29,30)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462661
PNG
(CHEMBL4240947)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C28H38N2OS2/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-32-28-29-24-16-10-11-17-25(24)33-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462653
PNG
(CHEMBL4245998)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H35N3OS/c1-18(2)20-12-11-13-21(19(3)4)25(20)29-24(30)16-7-5-6-10-17-31-26-27-22-14-8-9-15-23(22)28-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,27,28)(H,29,30)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285435
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-dimethylamino-phen...)
Show SMILES CCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)c1nc2ccccc2o1
Show InChI InChI=1S/C33H40N6OS/c1-6-39(33-34-28-12-8-9-13-29(28)40-33)22-10-7-11-23-41-32-35-30(24-14-18-26(19-15-24)37(2)3)31(36-32)25-16-20-27(21-17-25)38(4)5/h8-9,12-21H,6-7,10-11,22-23H2,1-5H3,(H,35,36)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462652
PNG
(CHEMBL4248936)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C27H36N2OS2/c1-19(2)21-13-12-14-22(20(3)4)26(21)29-25(30)17-8-6-5-7-11-18-31-27-28-23-15-9-10-16-24(23)32-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,29,30)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C
Show InChI InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse IC21 cells in absence of BSA


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450357
PNG
(CHEMBL48164)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C48H60N8OS2/c1-35(2)49-48(57)56(31-15-9-17-33-58-46-50-42(36-19-11-7-12-20-36)43(51-46)37-21-13-8-14-22-37)32-16-10-18-34-59-47-52-44(38-23-27-40(28-24-38)54(3)4)45(53-47)39-25-29-41(30-26-39)55(5)6/h7-8,11-14,19-30,35H,9-10,15-18,31-34H2,1-6H3,(H,49,57)(H,50,51)(H,52,53)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450361
PNG
(CHEMBL300913)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O3S/c1-23(2)34-32(38)37(22-26-10-6-7-19-33-26)20-8-5-9-21-41-31-35-29(24-11-15-27(39-3)16-12-24)30(36-31)25-13-17-28(40-4)18-14-25/h6-7,10-19,23H,5,8-9,20-22H2,1-4H3,(H,34,38)(H,35,36)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285432
PNG
(1N,1N-dimethyl-4-[2-{5-[4,5-di(4-dimethylaminophen...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCCCCSc2nc(c([nH]2)-c2ccc(cc2)N(C)C)-c2ccc(cc2)N(C)C)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C43H52N8S2/c1-48(2)34-20-12-30(13-21-34)38-39(31-14-22-35(23-15-31)49(3)4)45-42(44-38)52-28-10-9-11-29-53-43-46-40(32-16-24-36(25-17-32)50(5)6)41(47-43)33-18-26-37(27-19-33)51(7)8/h12-27H,9-11,28-29H2,1-8H3,(H,44,45)(H,46,47)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285447
PNG
(CHEMBL53397 | {5-[4,5-Bis-(4-methoxy-phenyl)-1H-im...)
Show SMILES CCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2cc(ccc2o1)C(C)(C)C
Show InChI InChI=1S/C37H46N4O3S/c1-7-8-22-41(36-38-31-25-28(37(2,3)4)16-21-32(31)44-36)23-10-9-11-24-45-35-39-33(26-12-17-29(42-5)18-13-26)34(40-35)27-14-19-30(43-6)20-15-27/h12-21,25H,7-11,22-24H2,1-6H3,(H,39,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285420
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES CCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C33H38N4O3S/c1-4-5-21-37(33-34-28-11-7-8-12-29(28)40-33)22-9-6-10-23-41-32-35-30(24-13-17-26(38-2)18-14-24)31(36-32)25-15-19-27(39-3)20-16-25/h7-8,11-20H,4-6,9-10,21-23H2,1-3H3,(H,35,36)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285434
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES COCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C34H40N4O5S/c1-39-22-23-42-21-20-38(34-35-29-9-5-6-10-30(29)43-34)19-7-4-8-24-44-33-36-31(25-11-15-27(40-2)16-12-25)32(37-33)26-13-17-28(41-3)18-14-26/h5-6,9-18H,4,7-8,19-24H2,1-3H3,(H,36,37)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285442
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C36H44N4O3S/c1-4-5-6-7-11-24-40(36-37-31-14-9-10-15-32(31)43-36)25-12-8-13-26-44-35-38-33(27-16-20-29(41-2)21-17-27)34(39-35)28-18-22-30(42-3)23-19-28/h9-10,14-23H,4-8,11-13,24-26H2,1-3H3,(H,38,39)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285444
PNG
(1N,1N-dimethyl-4-{5-(4-dimethylaminophenyl)-2-[5-(...)
Show SMILES CC(C)c1nc2ccccc2n1CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C34H42N6S/c1-24(2)33-35-29-12-8-9-13-30(29)40(33)22-10-7-11-23-41-34-36-31(25-14-18-27(19-15-25)38(3)4)32(37-34)26-16-20-28(21-17-26)39(5)6/h8-9,12-21,24H,7,10-11,22-23H2,1-6H3,(H,36,37)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285430
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-dimethylamino-phen...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCCCCNc2nc3ccccc3o2)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C31H36N6OS/c1-36(2)24-16-12-22(13-17-24)28-29(23-14-18-25(19-15-23)37(3)4)35-31(34-28)39-21-9-5-8-20-32-30-33-26-10-6-7-11-27(26)38-30/h6-7,10-19H,5,8-9,20-21H2,1-4H3,(H,32,33)(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285427
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES CCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C31H34N4O3S/c1-4-35(31-32-26-10-6-7-11-27(26)38-31)20-8-5-9-21-39-30-33-28(22-12-16-24(36-2)17-13-22)29(34-30)23-14-18-25(37-3)19-15-23/h6-7,10-19H,4-5,8-9,20-21H2,1-3H3,(H,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450366
PNG
(CHEMBL49265)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C33H41N5O3S/c1-24(2)35-33(39)38(22-19-27-10-6-7-20-34-27)21-8-5-9-23-42-32-36-30(25-11-15-28(40-3)16-12-25)31(37-32)26-13-17-29(41-4)18-14-26/h6-7,10-18,20,24H,5,8-9,19,21-23H2,1-4H3,(H,35,39)(H,36,37)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462670
PNG
(CHEMBL4239138)
Show SMILES COC(=O)c1cccc2nc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)oc12
Show InChI InChI=1S/C27H34N2O4S/c1-17(2)19-11-9-12-20(18(3)4)24(19)29-23(30)15-7-6-8-16-34-27-28-22-14-10-13-21(25(22)33-27)26(31)32-5/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,29,30)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450345
PNG
(CHEMBL51643)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C46H54N6O3S2/c1-33(2)47-46(53)52(29-13-7-15-31-56-44-48-40(34-17-9-5-10-18-34)41(49-44)35-19-11-6-12-20-35)30-14-8-16-32-57-45-50-42(36-21-25-38(54-3)26-22-36)43(51-45)37-23-27-39(55-4)28-24-37/h5-6,9-12,17-28,33H,7-8,13-16,29-32H2,1-4H3,(H,47,53)(H,48,49)(H,50,51)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462706
PNG
(CHEMBL4249263)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N2O2S/c1-16(2)19-9-8-10-20(17(3)4)24(19)31-23(32)11-6-5-7-14-34-25-30-21-15-18(26(27,28)29)12-13-22(21)33-25/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,31,32)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462703
PNG
(CHEMBL4249787)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C29H40N2O2S/c1-21(2)23-15-14-16-24(22(3)4)28(23)31-27(32)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)33-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,31,32)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462677
PNG
(CHEMBL4245984)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2s1
Show InChI InChI=1S/C21H24N2OS2/c1-13(2)15-8-7-9-16(14(3)4)20(15)23-19(24)12-25-21-22-17-10-5-6-11-18(17)26-21/h5-11,13-14H,12H2,1-4H3,(H,23,24)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462682
PNG
(CHEMBL4239248)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H25N3OS/c1-13(2)15-8-7-9-16(14(3)4)20(15)24-19(25)12-26-21-22-17-10-5-6-11-18(17)23-21/h5-11,13-14H,12H2,1-4H3,(H,22,23)(H,24,25)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450364
PNG
(CHEMBL50171)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C35H35F2N5O3S/c1-44-28-14-9-24(10-15-28)32-33(25-11-16-29(45-2)17-12-25)41-34(40-32)46-21-7-3-6-20-42(23-27-8-4-5-19-38-27)35(43)39-31-18-13-26(36)22-30(31)37/h4-5,8-19,22H,3,6-7,20-21,23H2,1-2H3,(H,39,43)(H,40,41)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285419
PNG
(2-{5-[4,5-di(4-methoxyphenyl)-1H-2-imidazolylsulfa...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCSc2nc(c([nH]2)-c2ccc(OC)cc2)-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C39H40N4O4S2/c1-44-30-16-8-26(9-17-30)34-35(27-10-18-31(45-2)19-11-27)41-38(40-34)48-24-6-5-7-25-49-39-42-36(28-12-20-32(46-3)21-13-28)37(43-39)29-14-22-33(47-4)23-15-29/h8-23H,5-7,24-25H2,1-4H3,(H,40,41)(H,42,43)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50287517
PNG
(3-(2,6-Diisopropyl-phenyl)-1-(2-dodecyl-2H-tetrazo...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)N(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C32H48N6O/c1-6-7-8-9-10-11-12-13-14-18-24-37-35-31(34-36-37)38(27-20-16-15-17-21-27)32(39)33-30-28(25(2)3)22-19-23-29(30)26(4)5/h15-17,19-23,25-26H,6-14,18,24H2,1-5H3,(H,33,39)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to penetrate the cell wall and inhibit macrophage ACAT in cell culture using murine IC-21 macrophages (MAI)


Bioorg Med Chem Lett 6: 1753-1758 (1996)


Article DOI: 10.1016/0960-894X(96)00310-1
BindingDB Entry DOI: 10.7270/Q2VD6ZF6
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285433
PNG
(1N,1N-dimethyl-4-{5-(4-dimethylaminophenyl)-2-[5-(...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCCCCn2nc(C)cc2C)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H38N6S/c1-21-20-22(2)35(32-21)18-8-7-9-19-36-29-30-27(23-10-14-25(15-11-23)33(3)4)28(31-29)24-12-16-26(17-13-24)34(5)6/h10-17,20H,7-9,18-19H2,1-6H3,(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462658
PNG
(CHEMBL4238015)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc2ccccc2s1
Show InChI InChI=1S/C22H26N2OS2/c1-14(2)16-8-7-9-17(15(3)4)21(16)24-20(25)12-13-26-22-23-18-10-5-6-11-19(18)27-22/h5-11,14-15H,12-13H2,1-4H3,(H,24,25)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462659
PNG
(CHEMBL4248950)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H39N3OS/c1-20(2)22-14-13-15-23(21(3)4)27(22)31-26(32)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)30-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,29,30)(H,31,32)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462665
PNG
(CHEMBL4248172)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C26H34N2O2S/c1-18(2)20-12-11-13-21(19(3)4)25(20)28-24(29)16-7-5-6-10-17-31-26-27-22-14-8-9-15-23(22)30-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,28,29)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285428
PNG
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCn2c(nc3ccccc23)C(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C32H36N4O2S/c1-22(2)31-33-27-10-6-7-11-28(27)36(31)20-8-5-9-21-39-32-34-29(23-12-16-25(37-3)17-13-23)30(35-32)24-14-18-26(38-4)19-15-24/h6-7,10-19,22H,5,8-9,20-21H2,1-4H3,(H,34,35)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462680
PNG
(CHEMBL4238030)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H33N3OS/c1-17(2)19-11-10-12-20(18(3)4)24(19)28-23(29)15-6-5-9-16-30-25-26-21-13-7-8-14-22(21)27-25/h7-8,10-14,17-18H,5-6,9,15-16H2,1-4H3,(H,26,27)(H,28,29)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450348
PNG
(CHEMBL51282)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccc(cc2)N(C)C)-c2ccc(cc2)N(C)C)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C42H50N8OS2/c1-47(2)33-17-9-29(10-18-33)37-38(30-11-19-34(20-12-30)48(3)4)44-41(43-37)52-27-25-51-26-28-53-42-45-39(31-13-21-35(22-14-31)49(5)6)40(46-42)32-15-23-36(24-16-32)50(7)8/h9-24H,25-28H2,1-8H3,(H,43,44)(H,45,46)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to penetrate the cell wall and inhibit macrophage ACAT in cell culture using murine IC-21 macrophages (MAI)


Bioorg Med Chem Lett 6: 1753-1758 (1996)


Article DOI: 10.1016/0960-894X(96)00310-1
BindingDB Entry DOI: 10.7270/Q2VD6ZF6
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462671
PNG
(CHEMBL4249719)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(C)cc2o1
Show InChI InChI=1S/C26H34N2O2S/c1-17(2)20-10-9-11-21(18(3)4)25(20)28-24(29)12-7-6-8-15-31-26-27-22-14-13-19(5)16-23(22)30-26/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,28,29)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462657
PNG
(CHEMBL4244680)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C26H34N2OS2/c1-18(2)20-12-11-13-21(19(3)4)25(20)28-24(29)16-7-5-6-10-17-30-26-27-22-14-8-9-15-23(22)31-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,28,29)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462660
PNG
(CHEMBL4245518)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C34H50N2O2S/c1-26(2)28-20-19-21-29(27(3)4)33(28)36-32(37)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)38-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,36,37)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450347
PNG
(CHEMBL431940)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C51H56F2N8OS2/c1-59(2)41-26-21-38(22-27-41)47-48(39-23-28-42(29-24-39)60(3)4)58-50(57-47)64-34-16-8-14-32-61(51(62)54-44-30-25-40(52)35-43(44)53)31-13-7-15-33-63-49-55-45(36-17-9-5-10-18-36)46(56-49)37-19-11-6-12-20-37/h5-6,9-12,17-30,35H,7-8,13-16,31-34H2,1-4H3,(H,54,62)(H,55,56)(H,57,58)
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DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462679
PNG
(CHEMBL4244693)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N3OS/c1-21(2)23-15-14-16-24(22(3)4)28(23)32-27(33)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)31-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,30,31)(H,32,33)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462708
PNG
(CHEMBL4243773)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc2ccccc2o1
Show InChI InChI=1S/C22H26N2O2S/c1-14(2)16-8-7-9-17(15(3)4)21(16)24-20(25)12-13-27-22-23-18-10-5-6-11-19(18)26-22/h5-11,14-15H,12-13H2,1-4H3,(H,24,25)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285425
PNG
((1H-Benzoimidazol-2-yl)-{5-[4,5-bis-(4-methoxy-phe...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C36H45N5O2S/c1-4-5-6-7-11-24-41(35-37-31-14-9-10-15-32(31)38-35)25-12-8-13-26-44-36-39-33(27-16-20-29(42-2)21-17-27)34(40-36)28-18-22-30(43-3)23-19-28/h9-10,14-23H,4-8,11-13,24-26H2,1-3H3,(H,37,38)(H,39,40)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285418
PNG
(Benzooxazol-2-yl-ethyl-{5-[5-(4-methylsulfanyl-phe...)
Show SMILES CCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C30H32N4OS2/c1-3-34(30-31-25-14-8-9-15-26(25)35-30)20-10-5-11-21-37-29-32-27(22-12-6-4-7-13-22)28(33-29)23-16-18-24(36-2)19-17-23/h4,6-9,12-19H,3,5,10-11,20-21H2,1-2H3,(H,32,33)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285424
PNG
(Benzooxazol-2-yl-{4-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES CCCCCCCN(CCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C35H42N4O3S/c1-4-5-6-7-10-23-39(35-36-30-13-8-9-14-31(30)42-35)24-11-12-25-43-34-37-32(26-15-19-28(40-2)20-16-26)33(38-34)27-17-21-29(41-3)22-18-27/h8-9,13-22H,4-7,10-12,23-25H2,1-3H3,(H,37,38)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture


Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50462699
PNG
(CHEMBL4245696)
Show SMILES COC(=O)c1ccc2nc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)oc2c1
Show InChI InChI=1S/C27H34N2O4S/c1-17(2)20-10-9-11-21(18(3)4)25(20)29-24(30)12-7-6-8-15-34-27-28-22-14-13-19(26(31)32-5)16-23(22)33-27/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,29,30)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)

More data for this
Ligand-Target Pair
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