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PubMed code 15261286

Compile data set for download or QSAR
Found 18 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
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 20n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 140n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50150482
PNG
(Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4...)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O |t:14,23|
Show InChI InChI=1S/C31H35NO10/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/h7-8,11,13-14,20,22-23,27H,9-10,12,15H2,1-6H3
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n/an/a 170n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50150482
PNG
(Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4...)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O |t:14,23|
Show InChI InChI=1S/C31H35NO10/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/h7-8,11,13-14,20,22-23,27H,9-10,12,15H2,1-6H3
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n/an/a 640n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50150483
PNG
((9Z,12Z)-Octadeca-9,12-dienoic acid amide | CHEMBL...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-
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n/an/a 4.50E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50150483
PNG
((9Z,12Z)-Octadeca-9,12-dienoic acid amide | CHEMBL...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-
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n/an/a 5.30E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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n/an/a 6.30E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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n/an/a 8.50E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50150483
PNG
((9Z,12Z)-Octadeca-9,12-dienoic acid amide | CHEMBL...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-
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n/an/a 1.50E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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n/an/a 1.70E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50150482
PNG
(Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4...)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O |t:14,23|
Show InChI InChI=1S/C31H35NO10/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/h7-8,11,13-14,20,22-23,27H,9-10,12,15H2,1-6H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase

Bioorg Med Chem Lett 14: 4277-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.086
BindingDB Entry DOI: 10.7270/Q261113Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%