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PubMed code 16242323

Compile data set for download or QSAR
Found 13 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)		BDBM50175766
PNG
(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(ccnc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C31H37N5O3/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5/h9-16,18-20H,7-8,17H2,1-6H3,(H2,34,35,38)
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n/an/a 5.40n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175771
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H39N5O3/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39)
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n/an/a 8.30n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175772
PNG
(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175767
PNG
(1-(3-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(ccc(N)c2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H39N5O3/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39)
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n/an/a 14n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175765
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C34H43N5O4/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42)
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n/an/a 21n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175775
PNG
(1-(3-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCO)c2)c(NC(=O)Nc2c(ccc(N)c2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C34H43N5O4/c1-6-7-17-39-32-26(13-9-16-36-32)29(23-11-8-12-24(20-23)43-19-10-18-40)31(33(39)41)38-34(42)37-30-25(21(2)3)14-15-27(35)28(30)22(4)5/h8-9,11-16,20-22,40H,6-7,10,17-19,35H2,1-5H3,(H2,37,38,42)
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n/an/a 43n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175773
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C35H45N5O4/c1-6-7-16-40-33-27(14-11-15-37-33)30(24-12-10-13-26(19-24)44-18-9-8-17-41)32(34(40)42)39-35(43)38-31-28(22(2)3)20-25(36)21-29(31)23(4)5/h10-15,19-23,41H,6-9,16-18,36H2,1-5H3,(H2,38,39,43)
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n/an/a 61n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175769
PNG
(1-(4-(aminomethyl)-2,6-diisopropylphenyl)-3-(1-but...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(CN)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C33H41N5O3/c1-7-8-15-38-31-25(13-10-14-35-31)28(23-11-9-12-24(18-23)41-6)30(32(38)39)37-33(40)36-29-26(20(2)3)16-22(19-34)17-27(29)21(4)5/h9-14,16-18,20-21H,7-8,15,19,34H2,1-6H3,(H2,36,37,40)
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n/an/a 382n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175768
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-2-oxo...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCN3CCCC3)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C38H50N6O3/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5/h10-11,13-16,22-26H,6-9,12,17-21,39H2,1-5H3,(H2,41,42,46)
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n/an/a 427n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175764
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCN(CC)CC)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C38H52N6O3/c1-8-11-20-44-36-30(17-13-18-40-36)33(27-15-12-16-29(22-27)47-21-14-19-43(9-2)10-3)35(37(44)45)42-38(46)41-34-31(25(4)5)23-28(39)24-32(34)26(6)7/h12-13,15-18,22-26H,8-11,14,19-21,39H2,1-7H3,(H2,41,42,46)
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n/an/a 452n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175763
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-2-oxo...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCCN3CCCCC3)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C39H52N6O3/c1-6-7-21-45-37-31(16-12-17-41-37)34(28-14-11-15-30(23-28)48-22-13-20-44-18-9-8-10-19-44)36(38(45)46)43-39(47)42-35-32(26(2)3)24-29(40)25-33(35)27(4)5/h11-12,14-17,23-27H,6-10,13,18-22,40H2,1-5H3,(H2,42,43,47)
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n/an/a 540n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175774
PNG
(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(CN(CC)CC)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C37H49N5O3/c1-9-12-19-42-35-29(17-14-18-38-35)32(27-15-13-16-28(22-27)45-8)34(36(42)43)40-37(44)39-33-30(24(4)5)20-26(21-31(33)25(6)7)23-41(10-2)11-3/h13-18,20-22,24-25H,9-12,19,23H2,1-8H3,(H2,39,40,44)
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n/an/a 680n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175770
PNG
(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OCCO)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C33H41N5O4/c1-6-7-14-38-31-25(12-9-13-35-31)28(22-10-8-11-24(17-22)42-16-15-39)30(32(38)40)37-33(41)36-29-26(20(2)3)18-23(34)19-27(29)21(4)5/h8-13,17-21,39H,6-7,14-16,34H2,1-5H3,(H2,36,37,41)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%