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PubMed code 18620381

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263192
PNG
(CHEMBL478858 | CHEMBL564483 | Pactimibe | [7-(2,2-...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(O)=O)c2C
Show InChI InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL after differentiation assessed as effect on...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263196
PNG
(CHEMBL478015 | N-(5-Aminomethyl-4,6-dimethyl-1-oct...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CN)c2C
Show InChI InChI=1S/C24H41N3O/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-25)18(3)21(22(19)27)26-23(28)24(4,5)6/h7-16,25H2,1-6H3,(H,26,28)
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PubMed
n/an/a 330n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263150
PNG
(CHEMBL513892 | N-(4,6-dimethyl-1-octylindolin-7-yl...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C23H38N2O/c1-7-8-9-10-11-12-14-25-15-13-19-17(2)16-18(3)20(21(19)25)24-22(26)23(4,5)6/h16H,7-15H2,1-6H3,(H,24,26)
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n/an/a 640n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-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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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263192
PNG
(CHEMBL478858 | CHEMBL564483 | Pactimibe | [7-(2,2-...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(O)=O)c2C
Show InChI InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)
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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263193
PNG
(3-[4,6-Dimethyl-7-(2,2-dimethylpropanamido)-1-octy...)
Show SMILES CCCCCCCCN1CC(CCC(O)=O)c2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C26H42N2O3/c1-7-8-9-10-11-12-15-28-17-20(13-14-21(29)30)22-18(2)16-19(3)23(24(22)28)27-25(31)26(4,5)6/h16,20H,7-15,17H2,1-6H3,(H,27,31)(H,29,30)
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263241
PNG
(CHEMBL514043 | N-[4,6-Dimethyl-1-octyl-5-(1H-tetra...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(Cc1nnn[nH]1)c2C
Show InChI InChI=1S/C25H40N6O/c1-7-8-9-10-11-12-14-31-15-13-19-17(2)20(16-21-27-29-30-28-21)18(3)22(23(19)31)26-24(32)25(4,5)6/h7-16H2,1-6H3,(H,26,32)(H,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263195
PNG
(4-(4,6-Dimethyl-1-octylindolin-7-yl)carbamoyl-4-me...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)CCC(O)=O)c(C)cc2C
Show InChI InChI=1S/C25H40N2O3/c1-6-7-8-9-10-11-15-27-16-13-20-18(2)17-19(3)22(23(20)27)26-24(30)25(4,5)14-12-21(28)29/h17H,6-16H2,1-5H3,(H,26,30)(H,28,29)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50263194
PNG
(10-[7-(2,2-Dimethylpropanamido)-4,6-dimethylindoli...)
Show SMILES Cc1cc(C)c(NC(=O)C(C)(C)C)c2N(CCCCCCCCCC(O)=O)CCc12
Show InChI InChI=1S/C25H40N2O3/c1-18-17-19(2)22(26-24(30)25(3,4)5)23-20(18)14-16-27(23)15-12-10-8-6-7-9-11-13-21(28)29/h17H,6-16H2,1-5H3,(H,26,30)(H,28,29)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...


J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%