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Compile Data Set for Download or QSAR

Found 56 hits of ic50 data for polymerid = 50007204,50007205   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50281511
PNG
(Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
Show InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50450891
PNG
(CHEMBL4212280)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50281511
PNG
(Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
Show InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204552
PNG
(CHEMBL3959948)
Show SMILES CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50450891
PNG
(CHEMBL4212280)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50450891
PNG
(CHEMBL4212280)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1
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Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50281511
PNG
(Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
Show InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
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Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50450893
PNG
(CHEMBL4207391)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-34(49)47(10)36(28(6)7)41(54)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)38(51)43-30(23-26(2)3)37(50)44-35(27(4)5)40(53)45(8)25-33-42-20-22-55-33/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,51)(H,44,50)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50281511
PNG
(Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5...)
Show SMILES COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
Show InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461446
PNG
(CHEMBL4227742)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|
Show InChI InChI=1S/C16H26Cl6N2O2/c1-6-13(25)11(7-9(2)15(17,18)19)23-14(26)12(24(4)5)8-10(3)16(20,21)22/h9-12H,6-8H2,1-5H3,(H,23,26)/t9-,10-,11-,12-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204547
PNG
(CHEMBL3923673)
Show SMILES CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/t18-,22+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461447
PNG
(CHEMBL4228016)
Show SMILES CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H19Cl6NO2/c1-4-11(22)10(7-9(3)14(18,19)20)21-12(23)6-5-8(2)13(15,16)17/h5-6,8-10H,4,7H2,1-3H3,(H,21,23)/b6-5+/t8-,9-,10-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50461448
PNG
(CHEMBL4227559)
Show SMILES C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|
Show InChI InChI=1S/C14H20Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h7-10H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 min...

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50450893
PNG
(CHEMBL4207391)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-34(49)47(10)36(28(6)7)41(54)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)38(51)43-30(23-26(2)3)37(50)44-35(27(4)5)40(53)45(8)25-33-42-20-22-55-33/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,51)(H,44,50)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204550
PNG
(CHEMBL3916935)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1ccccc21)NCc1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-2-8-18-13-17(23-15-16-9-4-3-5-10-16)14-22(26-18)19-11-6-7-12-20(19)24-21(22)25/h3-7,9-12,17-18,23H,2,8,13-15H2,1H3,(H,24,25)/t17-,18-,22+/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50450893
PNG
(CHEMBL4207391)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-34(49)47(10)36(28(6)7)41(54)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)38(51)43-30(23-26(2)3)37(50)44-35(27(4)5)40(53)45(8)25-33-42-20-22-55-33/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,51)(H,44,50)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50204547
PNG
(CHEMBL3923673)
Show SMILES CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/t18-,22+/m1/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204553
PNG
(CHEMBL3971022)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O2/c1-2-11-25-18-24(30-20-22-12-5-3-6-13-22)19-29(33-25)26-16-9-10-17-27(26)31(28(29)32)21-23-14-7-4-8-15-23/h3-10,12-17,24-25,30H,2,11,18-21H2,1H3/t24-,25-,29+/m1/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204545
PNG
(CHEMBL3898917)
Show SMILES CCC[C@@H]1CC(=O)C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21 |r|
Show InChI InChI=1S/C16H18BrNO3/c1-3-5-11-8-10(19)9-16(21-11)14-12(17)6-4-7-13(14)18(2)15(16)20/h4,6-7,11H,3,5,8-9H2,1-2H3/t11-,16+/m1/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50450892
PNG
(CHEMBL4207917)
Show SMILES CCCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-33(49)44-35(27(4)5)40(53)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)37(50)43-30(23-26(2)3)38(51)47(10)36(28(6)7)41(54)45(8)25-34-42-20-22-55-34/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,50)(H,44,49)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50450891
PNG
(CHEMBL4212280)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50450893
PNG
(CHEMBL4207391)
Show SMILES CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-34(49)47(10)36(28(6)7)41(54)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)38(51)43-30(23-26(2)3)37(50)44-35(27(4)5)40(53)45(8)25-33-42-20-22-55-33/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,51)(H,44,50)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50204553
PNG
(CHEMBL3971022)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O2/c1-2-11-25-18-24(30-20-22-12-5-3-6-13-22)19-29(33-25)26-16-9-10-17-27(26)31(28(29)32)21-23-14-7-4-8-15-23/h3-10,12-17,24-25,30H,2,11,18-21H2,1H3/t24-,25-,29+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50450892
PNG
(CHEMBL4207917)
Show SMILES CCCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-33(49)44-35(27(4)5)40(53)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)37(50)43-30(23-26(2)3)38(51)47(10)36(28(6)7)41(54)45(8)25-34-42-20-22-55-34/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,50)(H,44,49)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 ...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204558
PNG
(CHEMBL3960874)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1cccc(Br)c21)NCc1ccccc1 |r|
Show InChI InChI=1S/C22H25BrN2O2/c1-2-7-17-12-16(24-14-15-8-4-3-5-9-15)13-22(27-17)20-18(23)10-6-11-19(20)25-21(22)26/h3-6,8-11,16-17,24H,2,7,12-14H2,1H3,(H,25,26)/t16-,17-,22+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50450892
PNG
(CHEMBL4207917)
Show SMILES CCCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|
Show InChI InChI=1S/C41H63N7O6S/c1-11-16-33(49)44-35(27(4)5)40(53)48-21-15-19-31(48)39(52)46(9)32(24-29-17-13-12-14-18-29)37(50)43-30(23-26(2)3)38(51)47(10)36(28(6)7)41(54)45(8)25-34-42-20-22-55-34/h12-14,17-18,20,22,26-28,30-32,35-36H,11,15-16,19,21,23-25H2,1-10H3,(H,43,50)(H,44,49)/t30-,31-,32-,35-,36-/m0/s1
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n/an/a>1.20E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]ole...

J Nat Prod 80: 1161-1166 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00137
BindingDB Entry DOI: 10.7270/Q2251MS3
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50204551
PNG
(CHEMBL3958875)
Show SMILES CCC[C@H]1C\C(C[C@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50242257
PNG
(2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...)
Show SMILES C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)ccc1O |r,c:9|
Show InChI InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method

Bioorg Med Chem Lett 29: 2283-2285 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.026
BindingDB Entry DOI: 10.7270/Q2NK3JC2
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50242257
PNG
(2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...)
Show SMILES C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)ccc1O |r,c:9|
Show InChI InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method

Bioorg Med Chem Lett 29: 2283-2285 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.026
BindingDB Entry DOI: 10.7270/Q2NK3JC2
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204551
PNG
(CHEMBL3958875)
Show SMILES CCC[C@H]1C\C(C[C@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50204552
PNG
(CHEMBL3959948)
Show SMILES CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50196069
PNG
(CHEMBL3965313)
Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1O |r|
Show InChI InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method

Bioorg Med Chem Lett 29: 2283-2285 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.026
BindingDB Entry DOI: 10.7270/Q2NK3JC2
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50196069
PNG
(CHEMBL3965313)
Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1O |r|
Show InChI InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20+,21+/m0/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method

Bioorg Med Chem Lett 29: 2283-2285 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.026
BindingDB Entry DOI: 10.7270/Q2NK3JC2
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50360305
PNG
(CHEMBL409855 | US9149492, Beauveriolide III)
Show SMILES CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|
Show InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Tohoku Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs

Bioorg Med Chem Lett 28: 1911-1914 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.077
BindingDB Entry DOI: 10.7270/Q25Q4ZRC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50204548
PNG
(CHEMBL3932453)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21)NCc1ccccc1 |r|
Show InChI InChI=1S/C23H27BrN2O2/c1-3-8-18-13-17(25-15-16-9-5-4-6-10-16)14-23(28-18)21-19(24)11-7-12-20(21)26(2)22(23)27/h4-7,9-12,17-18,25H,3,8,13-15H2,1-2H3/t17-,18-,23+/m1/s1
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n/an/a>2.20E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)		BDBM50204558
PNG
(CHEMBL3960874)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1cccc(Br)c21)NCc1ccccc1 |r|
Show InChI InChI=1S/C22H25BrN2O2/c1-2-7-17-12-16(24-14-15-8-4-3-5-9-15)13-22(27-17)20-18(23)10-6-11-19(20)25-21(22)26/h3-6,8-11,16-17,24H,2,7,12-14H2,1H3,(H,25,26)/t16-,17-,22+/m1/s1
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n/an/a>2.30E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204555
PNG
(CHEMBL3983935)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1ccccc21)N1CCCC1 |r|
Show InChI InChI=1S/C19H26N2O2/c1-2-7-15-12-14(21-10-5-6-11-21)13-19(23-15)16-8-3-4-9-17(16)20-18(19)22/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,20,22)/t14-,15-,19+/m1/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)		BDBM50204556
PNG
(CHEMBL3941429)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1ccccc21)NCc1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c1-3-9-19-14-18(24-16-17-10-5-4-6-11-17)15-23(27-19)20-12-7-8-13-21(20)25(2)22(23)26/h4-8,10-13,18-19,24H,3,9,14-16H2,1-2H3/t18-,19-,23+/m1/s1
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n/an/a>2.70E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...

Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
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