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PubMed code 15149654

Compile data set for download or QSAR
Found 7 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


(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
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(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
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50147176
PNG
(1-(3,4-Dimethoxy-phenyl)-2-[4-((2S,3R,4R,5S)-5-{4-...)
Show SMILES COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25?,26?,39?,40?,41+,42+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))		BDBM50147176
PNG
(1-(3,4-Dimethoxy-phenyl)-2-[4-((2S,3R,4R,5S)-5-{4-...)
Show SMILES COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25?,26?,39?,40?,41+,42+/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50147179
PNG
(5-((R)-2-{4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)[C@@H]1O[C@@H]([C@H](C)[C@@H]1C)c1ccc(O[C@H](C)Cc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C30H34O6/c1-18(14-21-6-12-26-28(15-21)34-17-33-26)35-24-10-7-22(8-11-24)29-19(2)20(3)30(36-29)23-9-13-25(31-4)27(16-23)32-5/h6-13,15-16,18-20,29-30H,14,17H2,1-5H3/t18-,19-,20+,29+,30-/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50147177
PNG
(2-(4-{(2S,3R,4R,5S)-5-[4-(2-Benzo[1,3]dioxol-5-yl-...)
Show SMILES COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24?,25?,38?,39?,40+,41+/m1/s1
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n/an/a 8.20E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))		BDBM50147179
PNG
(5-((R)-2-{4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxy-phenyl...)
Show SMILES COc1ccc(cc1OC)[C@@H]1O[C@@H]([C@H](C)[C@@H]1C)c1ccc(O[C@H](C)Cc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C30H34O6/c1-18(14-21-6-12-26-28(15-21)34-17-33-26)35-24-10-7-22(8-11-24)29-19(2)20(3)30(36-29)23-9-13-25(31-4)27(16-23)32-5/h6-13,15-16,18-20,29-30H,14,17H2,1-5H3/t18-,19-,20+,29+,30-/m1/s1
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n/an/a 1.24E+5n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Acyl coenzyme A:cholesterol acyltransferase 2

Bioorg Med Chem Lett 14: 3109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.023
BindingDB Entry DOI: 10.7270/Q2X929Q0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%