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Compile Data Set for Download or QSAR

Found 726 hits of ic50 data for polymerid = 3387,50001156   
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
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50466752
PNG
(CHEMBL4281138)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H29N5OS4/c1-16-14-19(30-2)21(22(24-16)31-3)26-20(29)15-28-10-8-27(9-11-28)12-13-32-23-25-17-6-4-5-7-18(17)33-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)
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Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182852
PNG
(US9149492, Compound 1D)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1
Show InChI InChI=1S/C38H46N2O5/c1-26(2)32-14-11-15-33(27(3)4)38(32)39-35(42)24-34(41)30(22-28-12-7-5-8-13-28)23-29-17-19-31(20-18-29)45-37(44)25-40-21-10-6-9-16-36(40)43/h5,7-8,11-15,17-20,26-27,30H,6,9-10,16,21-25H2,1-4H3,(H,39,42)
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n/an/a 3.20n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182851
PNG
(US9149492, Compound 1C)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1
Show InChI InChI=1S/C43H56N2O5/c1-31(2)37-18-15-19-38(32(3)4)43(37)44-40(47)30-39(46)35(28-33-16-9-7-10-17-33)29-34-22-24-36(25-23-34)50-42(49)21-12-5-6-13-26-45-27-14-8-11-20-41(45)48/h7,9-10,15-19,22-25,31-32,35H,5-6,8,11-14,20-21,26-30H2,1-4H3,(H,44,47)
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n/an/a 3.60n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182849
PNG
(US9149492, Compound 1A)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H35NO2/c1-21(2)26-16-11-17-27(22(3)4)30(26)31-29(33)20-28(32)25(18-23-12-7-5-8-13-23)19-24-14-9-6-10-15-24/h5-17,21-22,25H,18-20H2,1-4H3,(H,31,33)
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n/an/a 4.20n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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 Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50466740
PNG
(CHEMBL4282905)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C23H29N5O2S3/c1-16-14-19(31-2)21(22(24-16)32-3)26-20(29)15-28-10-8-27(9-11-28)12-13-33-23-25-17-6-4-5-7-18(17)30-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)
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Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50041735
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sterol O-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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The DuPont Merck Pharmaceutical 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
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50051894
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CC1 |(14.57,1.37,;13.09,.98,;12.67,-.5,;11.19,-.89,;10.78,-2.39,;11.87,-3.46,;13.36,-3.08,;13.76,-1.59,;11.47,-4.95,;9.98,-5.35,;9.57,-6.84,;10.66,-7.94,;10.27,-9.43,;11.05,-10.76,;10.29,-12.1,;11,-13.36,;9.87,-14.42,;10.97,-15.5,;9.12,-15.76,;7.4,-15.14,;6.21,-15.56,;6.98,-14.21,;8.61,-14.84,;4.88,-14.79,;4.48,-13.3,;2.94,-13.23,;2.39,-14.67,;3.59,-15.63,;.89,-15.07,;-.19,-13.97,;-1.67,-14.39,;-2.07,-15.88,;-.97,-16.96,;.51,-16.55,;2.08,-11.94,;2.78,-10.56,;1.94,-9.28,;.4,-9.36,;-.28,-10.73,;.56,-12.01,;12.15,-7.53,;12.55,-6.05,)|
Show InChI InChI=1S/C35H42N4O3/c1-35(19-9-10-20-38-21-23-39(24-22-38)29-15-17-30(40-2)18-16-29)25-41-34(42-26-35)33-36-31(27-11-5-3-6-12-27)32(37-33)28-13-7-4-8-14-28/h3-8,11-18,34H,9-10,19-26H2,1-2H3,(H,36,37)
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Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...

J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182850
PNG
(US9149492, Compound 1B)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-20(2)26-11-8-12-27(21(3)4)30(26)31-29(34)19-28(33)24(17-22-9-6-5-7-10-22)18-23-13-15-25(32)16-14-23/h5-16,20-21,24,32H,17-19H2,1-4H3,(H,31,34)
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n/an/a 10.3n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-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
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50360307
PNG
(CHEMBL449307)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C33H45N3O5/c1-6-8-15-22(4)26-20-27(37)35-30(28(24-16-11-9-12-17-24)25-18-13-10-14-19-25)32(39)34-23(5)31(38)36-29(21(3)7-2)33(40)41-26/h9-14,16-19,21-23,26,28-30H,6-8,15,20H2,1-5H3,(H,34,39)(H,35,37)(H,36,38)/t21-,22-,23+,26-,29+,30-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages

Bioorg Med Chem Lett 22: 696-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.045
BindingDB Entry DOI: 10.7270/Q2ZC839D
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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 human monocytes-derived macrophages reduction in cholesteryl oleate formation preincubated for 2 hrs followed by [14C]-oleic a...

Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182847
PNG
(US9149492, K-604)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)
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Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50175765
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C34H43N5O4/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42)
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Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276493
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxy...)
Show SMILES COc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C33H41F3N4O2/c1-21(2)26-18-25(37)19-27(22(3)4)30(26)39-31(41)38-20-32(23-9-8-10-24(17-23)33(34,35)36)13-15-40(16-14-32)28-11-6-7-12-29(28)42-5/h6-12,17-19,21-22H,13-16,20,37H2,1-5H3,(H2,38,39,41)
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n/an/a 32n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276562
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-butoxyp...)
Show SMILES CCCCOc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
Show InChI InChI=1S/C36H50N4O3/c1-7-8-20-43-33-15-10-9-14-32(33)40-18-16-36(17-19-40,27-12-11-13-29(21-27)42-6)24-38-35(41)39-34-30(25(2)3)22-28(37)23-31(34)26(4)5/h9-15,21-23,25-26H,7-8,16-20,24,37H2,1-6H3,(H2,38,39,41)
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n/an/a 32n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50436124
PNG
(CHEMBL2397474)
Show SMILES CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC(=O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C |r|
Show InChI InChI=1S/C33H61N3O6/c1-9-10-11-12-13-14-17-22-36(23-31(2,3)4)30(39)35-25-18-15-16-19-26(25)41-27(37)20-21-34-29(38)28-32(5,6)24-40-33(7,8)42-28/h25-26,28H,9-24H2,1-8H3,(H,34,38)(H,35,39)/t25-,26-,28-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of macrophage ACAT (unknown origin)

Bioorg Med Chem 21: 3831-8 (2013)


Article DOI: 10.1016/j.bmc.2013.04.025
BindingDB Entry DOI: 10.7270/Q2PV6MR1
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from cholesterol fed rabbit gut

Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276483
PNG
(1-(2,6-diisopropylphenyl)-3-((4-(3-methoxyphenyl)-...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C32H41N3O2/c1-23(2)28-15-10-16-29(24(3)4)30(28)34-31(36)33-22-32(25-11-9-14-27(21-25)37-5)17-19-35(20-18-32)26-12-7-6-8-13-26/h6-16,21,23-24H,17-20,22H2,1-5H3,(H2,33,34,36)
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n/an/a 35n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 35n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine liver

Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 36n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine adrenal gland

Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 36n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver

Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276487
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C33H44N4O3/c1-22(2)27-19-25(34)20-28(23(3)4)31(27)36-32(38)35-21-33(24-10-9-11-26(18-24)39-5)14-16-37(17-15-33)29-12-7-8-13-30(29)40-6/h7-13,18-20,22-23H,14-17,21,34H2,1-6H3,(H2,35,36,38)
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n/an/a 37n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182848
PNG
(US9149492, Eflucimibe (F12511))
Show SMILES CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r|
Show InChI InChI=1S/C29H43NO2S/c1-5-6-7-8-9-10-11-12-13-17-20-33-28(25-18-15-14-16-19-25)29(32)30-26-21-22(2)27(31)24(4)23(26)3/h14-16,18-19,21,28,31H,5-13,17,20H2,1-4H3,(H,30,32)/t28-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay Description
Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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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n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sterol O-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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n/an/a 40n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50028866
PNG
(CHEMBL297271 | N-[(1S,2R)-2-(4-Hydroxy-phenyl)-ind...)
Show SMILES Oc1ccc(cc1)[C@H]1Cc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H25NO2/c31-24-17-15-20(16-18-24)26-19-23-13-7-8-14-25(23)28(26)30-29(32)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,26-28,31H,19H2,(H,30,32)/t26-,28-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT)

J Med Chem 24: 496-9 (1981)


BindingDB Entry DOI: 10.7270/Q2K64JTV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50360306
PNG
(CHEMBL505016)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C33H45N3O5/c1-6-8-15-22(4)26-20-27(37)35-30(28(24-16-11-9-12-17-24)25-18-13-10-14-19-25)32(39)34-23(5)31(38)36-29(21(3)7-2)33(40)41-26/h9-14,16-19,21-23,26,28-30H,6-8,15,20H2,1-5H3,(H,34,39)(H,35,37)(H,36,38)/t21-,22-,23-,26-,29+,30-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages

Bioorg Med Chem Lett 22: 696-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.045
BindingDB Entry DOI: 10.7270/Q2ZC839D
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...

J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276485
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C32H42N4O2/c1-22(2)28-19-25(33)20-29(23(3)4)30(28)35-31(37)34-21-32(24-10-9-13-27(18-24)38-5)14-16-36(17-15-32)26-11-7-6-8-12-26/h6-13,18-20,22-23H,14-17,21,33H2,1-5H3,(H2,34,35,37)
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Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-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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n/an/a 43n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver

Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of rabbit arterial Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276494
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1,4-bis(2-me...)
Show SMILES COc1ccccc1N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1ccccc1OC
Show InChI InChI=1S/C33H44N4O3/c1-22(2)25-19-24(34)20-26(23(3)4)31(25)36-32(38)35-21-33(27-11-7-9-13-29(27)39-5)15-17-37(18-16-33)28-12-8-10-14-30(28)40-6/h7-14,19-20,22-23H,15-18,21,34H2,1-6H3,(H2,35,36,38)
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n/an/a 43n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276484
PNG
(1-(2,6-diisopropylphenyl)-3-((1-(2-methoxyphenyl)-...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C33H43N3O3/c1-23(2)27-13-10-14-28(24(3)4)31(27)35-32(37)34-22-33(25-11-9-12-26(21-25)38-5)17-19-36(20-18-33)29-15-7-8-16-30(29)39-6/h7-16,21,23-24H,17-20,22H2,1-6H3,(H2,34,35,37)
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n/an/a 47n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276488
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1,4-bis(3-me...)
Show SMILES COc1cccc(c1)N1CCC(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)(CC1)c1cccc(OC)c1
Show InChI InChI=1S/C33H44N4O3/c1-22(2)29-18-25(34)19-30(23(3)4)31(29)36-32(38)35-21-33(24-9-7-11-27(17-24)39-5)13-15-37(16-14-33)26-10-8-12-28(20-26)40-6/h7-12,17-20,22-23H,13-16,21,34H2,1-6H3,(H2,35,36,38)
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n/an/a 48n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-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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n/an/a 48n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276565
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-methoxy...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C34H43F3N4O3/c1-22(2)27-18-25(38)19-28(23(3)4)31(27)40-32(42)39-20-33(24-9-8-10-26(17-24)43-5)13-15-41(16-14-33)29-11-6-7-12-30(29)44-21-34(35,36)37/h6-12,17-19,22-23H,13-16,20-21,38H2,1-5H3,(H2,39,40,42)
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n/an/a 48n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50276563
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxy...)
Show SMILES COc1ccc(cc1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C33H44N4O3/c1-22(2)27-19-25(34)20-28(23(3)4)31(27)36-32(38)35-21-33(24-11-13-26(39-5)14-12-24)15-17-37(18-16-33)29-9-7-8-10-30(29)40-6/h7-14,19-20,22-23H,15-18,21,34H2,1-6H3,(H2,35,36,38)
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n/an/a 49n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human HepG2 cells

Bioorg Med Chem Lett 19: 1062-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.020
BindingDB Entry DOI: 10.7270/Q2R78F3M
More data for this
Ligand-Target Pair
Sterol O-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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n/an/a 50n/an/an/an/an/an/a



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
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50051888
PNG
(CHEMBL284378 | {4-[2-(4,5-Diphenyl-1H-imidazol-2-y...)
Show SMILES CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1 |(11.88,.67,;10.34,.67,;9.95,-.82,;10.74,-2.15,;9.97,-3.48,;10.69,-4.74,;9.55,-5.82,;10.65,-6.89,;8.8,-7.15,;7.08,-6.54,;5.89,-6.96,;6.66,-5.61,;8.29,-6.24,;4.56,-6.19,;4.14,-4.7,;2.62,-4.63,;2.06,-6.05,;3.27,-7.03,;.57,-6.47,;-.51,-5.37,;-2,-5.77,;-2.4,-7.26,;-1.3,-8.36,;.19,-7.94,;1.76,-3.32,;2.46,-1.94,;1.62,-.66,;.08,-.75,;-.6,-2.13,;.24,-3.41,;10.34,2.21,;8.99,2.98,;8.97,4.5,;10.3,5.29,;11.65,4.54,;11.67,3,)|
Show InChI InChI=1S/C30H34N4O2/c1-30(18-10-12-20-34(2)25-17-9-11-19-31-25)21-35-29(36-22-30)28-32-26(23-13-5-3-6-14-23)27(33-28)24-15-7-4-8-16-24/h3-9,11,13-17,19,29H,10,12,18,20-22H2,1-2H3,(H,32,33)
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n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...

J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50051898
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;11.98,-.93,;12.58,.48,;14.12,.33,;14.45,-1.17,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
Show InChI InChI=1S/C31H37N5O2S/c1-31(14-8-9-16-35-17-19-36(20-18-35)30-32-15-21-39-30)22-37-29(38-23-31)28-33-26(24-10-4-2-5-11-24)27(34-28)25-12-6-3-7-13-25/h2-7,10-13,15,21,29H,8-9,14,16-20,22-23H2,1H3,(H,33,34)
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n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...

J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		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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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 sonicate

Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50089627
PNG
(12-hydroxy-4,6a,12b-trimethyl-3,6-di(methylcarbony...)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C31H37NO10/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/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22?,23-,24-,26-,27?,29-,30-,31+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against acyl-CoA:cholesterol acyltransferase (ACAT)

Bioorg Med Chem Lett 10: 1315-6 (2000)


BindingDB Entry DOI: 10.7270/Q23B5ZCD
More data for this
Ligand-Target Pair
Sterol O-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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n/an/a 59n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-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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n/an/a 60n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical 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
Sterol O-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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n/an/a 60n/an/an/an/an/an/a



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)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
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