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PubMed code 30433781

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
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))
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))
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


(Homo sapiens (Human))
BDBM50466741
PNG
(CHEMBL4291768)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1
Show InChI InChI=1S/C22H28N6O2S3/c1-15-13-17(31-2)19(21(24-15)32-3)25-18(29)14-28-9-7-27(8-10-28)11-12-33-22-26-20-16(30-22)5-4-6-23-20/h4-6,13H,7-12,14H2,1-3H3,(H,25,29)
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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))
BDBM50466744
PNG
(CHEMBL4280317)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C27H36N4OS2/c1-19(2)21-8-7-9-22(20(3)4)26(21)29-25(32)18-31-14-12-30(13-15-31)16-17-33-27-28-23-10-5-6-11-24(23)34-27/h5-11,19-20H,12-18H2,1-4H3,(H,29,32)
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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))
BDBM50466756
PNG
(CHEMBL4287597)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C28H38N4O2S/c1-20(2)22-9-7-10-23(21(3)4)27(22)30-26(33)19-32-16-14-31(15-17-32)13-8-18-35-28-29-24-11-5-6-12-25(24)34-28/h5-7,9-12,20-21H,8,13-19H2,1-4H3,(H,30,33)
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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))
BDBM50466753
PNG
(CHEMBL4283167)
Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(c1)C(C)C
Show InChI InChI=1S/C30H42N4O2S/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)32-28(35)19-34-13-11-33(12-14-34)15-16-37-30-31-26-9-7-8-10-27(26)36-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,32,35)
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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))
BDBM50466754
PNG
(CHEMBL4294841)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C27H36N4O2S/c1-19(2)21-8-7-9-22(20(3)4)26(21)29-25(32)18-31-14-12-30(13-15-31)16-17-34-27-28-23-10-5-6-11-24(23)33-27/h5-11,19-20H,12-18H2,1-4H3,(H,29,32)
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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))
BDBM50466745
PNG
(CHEMBL4284218)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C27H37N5OS/c1-19(2)21-8-7-9-22(20(3)4)26(21)30-25(33)18-32-14-12-31(13-15-32)16-17-34-27-28-23-10-5-6-11-24(23)29-27/h5-11,19-20H,12-18H2,1-4H3,(H,28,29)(H,30,33)
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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))
BDBM50466748
PNG
(CHEMBL4277672)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC[C@H]1CCCC[C@H]1CSc1nc2ccccc2o1
Show InChI InChI=1S/C29H38N2O2S/c1-19(2)23-12-9-13-24(20(3)4)28(23)31-27(32)17-16-21-10-5-6-11-22(21)18-34-29-30-25-14-7-8-15-26(25)33-29/h7-9,12-15,19-22H,5-6,10-11,16-18H2,1-4H3,(H,31,32)/t21-,22+/m1/s1
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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))
BDBM50466749
PNG
(CHEMBL4294442)
Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ncccc4o3)CC2)c(c1)C(C)C
Show InChI InChI=1S/C29H41N5O2S/c1-19(2)22-16-23(20(3)4)27(24(17-22)21(5)6)31-26(35)18-34-12-10-33(11-13-34)14-15-37-29-32-28-25(36-29)8-7-9-30-28/h7-9,16-17,19-21H,10-15,18H2,1-6H3,(H,31,35)
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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))
BDBM50466742
PNG
(CHEMBL4293342)
Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4s3)CC2)c(c1)C(C)C
Show InChI InChI=1S/C30H42N4OS2/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)32-28(35)19-34-13-11-33(12-14-34)15-16-36-30-31-26-9-7-8-10-27(26)37-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,32,35)
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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))
BDBM50466746
PNG
(CHEMBL4279691)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCN(CCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C29H40N4O2S/c1-21(2)23-10-7-11-24(22(3)4)28(23)31-27(34)20-33-15-8-14-32(17-18-33)16-9-19-36-29-30-25-12-5-6-13-26(25)35-29/h5-7,10-13,21-22H,8-9,14-20H2,1-4H3,(H,31,34)
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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))
BDBM50466743
PNG
(CHEMBL4294421)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1
Show InChI InChI=1S/C26H35N5O2S/c1-18(2)20-7-5-8-21(19(3)4)24(20)28-23(32)17-31-13-11-30(12-14-31)15-16-34-26-29-25-22(33-26)9-6-10-27-25/h5-10,18-19H,11-17H2,1-4H3,(H,28,32)
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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))
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 human ACAT1


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))
BDBM50466750
PNG
(CHEMBL4291024)
Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4[nH]3)CC2)c(c1)C(C)C
Show InChI InChI=1S/C30H43N5OS/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)33-28(36)19-35-13-11-34(12-14-35)15-16-37-30-31-26-9-7-8-10-27(26)32-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,31,32)(H,33,36)
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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))
BDBM50462690
PNG
(CHEMBL4242494)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(N(C)C)c2o1
Show InChI InChI=1S/C27H37N3O2S/c1-18(2)20-12-10-13-21(19(3)4)25(20)29-24(31)16-8-7-9-17-33-27-28-22-14-11-15-23(30(5)6)26(22)32-27/h10-15,18-19H,7-9,16-17H2,1-6H3,(H,29,31)
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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))
BDBM50466747
PNG
(CHEMBL4288312)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](CSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C27H34N2O2S/c1-17(2)21-8-7-9-22(18(3)4)25(21)29-26(30)20-14-12-19(13-15-20)16-32-27-28-23-10-5-6-11-24(23)31-27/h5-11,17-20H,12-16H2,1-4H3,(H,29,30)/t19-,20-
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n/an/a 1.20E+3n/an/an/an/an/an/a



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))
BDBM50466751
PNG
(CHEMBL4286811)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Cc1cccc(CSc2nc3ccccc3o2)c1
Show InChI InChI=1S/C28H30N2O2S/c1-18(2)22-11-8-12-23(19(3)4)27(22)30-26(31)16-20-9-7-10-21(15-20)17-33-28-29-24-13-5-6-14-25(24)32-28/h5-15,18-19H,16-17H2,1-4H3,(H,30,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



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))
BDBM50466755
PNG
(CHEMBL4294713)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)\C=C\CCCSc1nc2ccccc2o1
Show InChI InChI=1S/C25H30N2O2S/c1-17(2)19-11-10-12-20(18(3)4)24(19)27-23(28)15-6-5-9-16-30-25-26-21-13-7-8-14-22(21)29-25/h6-8,10-15,17-18H,5,9,16H2,1-4H3,(H,27,28)/b15-6+
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n/an/a 2.70E+3n/an/an/an/an/an/a



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))
BDBM50462668
PNG
(CHEMBL4242551)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(CN(C)C)c2o1
Show InChI InChI=1S/C28H39N3O2S/c1-19(2)22-13-11-14-23(20(3)4)26(22)30-25(32)16-8-7-9-17-34-28-29-24-15-10-12-21(18-31(5)6)27(24)33-28/h10-15,19-20H,7-9,16-18H2,1-6H3,(H,30,32)
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n/an/a 5.60E+3n/an/an/an/an/an/a



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 2


(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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n/an/a 1.03E+5n/an/an/an/an/an/a



Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ACAT2


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
* indicates data uncertainty>20%