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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'germain' and Initial = 'sj'   
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, Soat


(Rattus norvegicus)
BDBM50033969
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
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n/an/a 10n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450322
PNG
(CHEMBL431934)
Show SMILES CCCCCCCN(CCCCCOC1=NC(S)=NC1(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(36)32-25(2)3)23-16-10-17-24-37-28-31(34-29(38)33-28,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,34,38)
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n/an/a 90n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACYL CoA:Cholesterol Acyltransferase (ACAT) in rat hepatic microsomes was measured by using AIV assay


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450338
PNG
(CHEMBL416816)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)31-20-11-10-18(25)15-19(20)26)13-8-6-9-14-34-23-21-22(28-16-27-21)29-17-30-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,31,33)(H,27,28,29,30)
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n/an/a 200n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450330
PNG
(CHEMBL295251)
Show SMILES CCCCCCCN(CCCCCSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H39F2N5OS/c1-2-3-4-5-13-22-41(34(42)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-43-33-38-31(26-16-9-6-10-17-26)32(39-40-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,42)
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The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037632
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(4-phenyl-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c[nH]1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H36F2N4OS/c1-2-3-4-5-10-17-34(28(35)33-25-16-15-23(29)20-24(25)30)18-11-7-12-19-36-27-31-21-26(32-27)22-13-8-6-9-14-22/h6,8-9,13-16,20-21H,2-5,7,10-12,17-19H2,1H3,(H,31,32)(H,33,35)
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n/an/a 490n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450335
PNG
(CHEMBL416998)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H32F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,29)(H,30,32)
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n/an/a 500n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450327
PNG
(CHEMBL300518)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)30-21-11-10-18(25)15-20(21)26)13-8-6-9-14-34-23-19-16-29-31-22(19)27-17-28-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,30,33)(H,27,28,29,31)
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n/an/a 710n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450313
PNG
(CHEMBL46174)
Show SMILES CCCCCCN(CCCCCSc1nc2CCCCc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H36F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h13-14,18H,2-12,15-17H2,1H3,(H,28,29)(H,30,32)
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n/an/a 810n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450333
PNG
(CHEMBL48094)
Show SMILES CCCCCCN(CCCCCSc1nc2c[nH]cnc2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C23H30F2N6OS/c1-2-3-4-6-11-31(23(32)29-19-10-9-17(24)14-18(19)25)12-7-5-8-13-33-22-28-20-15-26-16-27-21(20)30-22/h9-10,14-16H,2-8,11-13H2,1H3,(H,29,32)(H,26,27,28,30)
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n/an/a 860n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450323
PNG
(CHEMBL46017)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-7-14-32(26(33)31-22-13-11-20(27)18-21(22)28)15-8-6-9-16-34-25-29-23-12-10-19(2)17-24(23)30-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,29,30)(H,31,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50033969
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450324
PNG
(CHEMBL45913)
Show SMILES CCCCCCN(CCCCCSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)NC(C)C
Show InChI InChI=1S/C22H38N6O3S/c1-6-7-8-10-13-28(21(30)23-16(2)3)14-11-9-12-15-32-20-24-17-18(25-20)26(4)22(31)27(5)19(17)29/h16H,6-15H2,1-5H3,(H,23,30)(H,24,25)
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n/an/a 1.53E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50037632
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(4-phenyl-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c[nH]1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H36F2N4OS/c1-2-3-4-5-10-17-34(28(35)33-25-16-15-23(29)20-24(25)30)18-11-7-12-19-36-27-31-21-26(32-27)22-13-8-6-9-14-22/h6,8-9,13-16,20-21H,2-5,7,10-12,17-19H2,1H3,(H,31,32)(H,33,35)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450329
PNG
(CHEMBL295079)
Show SMILES CCCCCCN(CCOCCSc1nc2c[nH]cnc2n1)C(=O)NC(C)C
Show InChI InChI=1S/C19H32N6O2S/c1-4-5-6-7-8-25(19(26)22-15(2)3)9-10-27-11-12-28-18-23-16-13-20-14-21-17(16)24-18/h13-15H,4-12H2,1-3H3,(H,22,26)(H,20,21,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450314
PNG
(CHEMBL417187)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(ccc2[nH]1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H31F2N5O3S/c1-2-3-4-6-13-31(25(33)30-21-11-9-18(26)16-20(21)27)14-7-5-8-15-36-24-28-22-12-10-19(32(34)35)17-23(22)29-24/h9-12,16-17H,2-8,13-15H2,1H3,(H,28,29)(H,30,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450323
PNG
(CHEMBL46017)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-7-14-32(26(33)31-22-13-11-20(27)18-21(22)28)15-8-6-9-16-34-25-29-23-12-10-19(2)17-24(23)30-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,29,30)(H,31,33)
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n/an/a 2.06E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450320
PNG
(CHEMBL49001)
Show SMILES CCCCCCCN(CCCCCSC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(37)32-25(2)3)23-16-10-17-24-38-29-33-28(36)31(34-29,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,37)(H,33,34,36)
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n/an/a 2.14E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450337
PNG
(CHEMBL291197)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2n1C)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-9-16-32(25(33)29-22-15-14-20(27)19-21(22)28)17-10-6-11-18-34-26-30-23-12-7-8-13-24(23)31(26)2/h7-8,12-15,19H,3-6,9-11,16-18H2,1-2H3,(H,29,33)
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n/an/a 2.49E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450313
PNG
(CHEMBL46174)
Show SMILES CCCCCCN(CCCCCSc1nc2CCCCc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H36F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h13-14,18H,2-12,15-17H2,1H3,(H,28,29)(H,30,32)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450336
PNG
(CHEMBL45964)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H31F2N3OS2/c1-2-3-4-8-15-30(24(31)28-21-14-13-19(26)18-20(21)27)16-9-5-10-17-32-25-29-22-11-6-7-12-23(22)33-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,31)
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n/an/a 2.73E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450322
PNG
(CHEMBL431934)
Show SMILES CCCCCCCN(CCCCCOC1=NC(S)=NC1(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(36)32-25(2)3)23-16-10-17-24-37-28-31(34-29(38)33-28,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,34,38)
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n/an/a 2.79E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450320
PNG
(CHEMBL49001)
Show SMILES CCCCCCCN(CCCCCSC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(37)32-25(2)3)23-16-10-17-24-38-29-33-28(36)31(34-29,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,37)(H,33,34,36)
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n/an/a 2.79E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037630
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1H-imidazol...)
Show SMILES CCCCCCCN(CCCCCSc1ncc[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H32F2N4OS/c1-2-3-4-5-7-14-28(15-8-6-9-16-30-21-25-12-13-26-21)22(29)27-20-11-10-18(23)17-19(20)24/h10-13,17H,2-9,14-16H2,1H3,(H,25,26)(H,27,29)
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n/an/a 2.85E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450337
PNG
(CHEMBL291197)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2n1C)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-9-16-32(25(33)29-22-15-14-20(27)19-21(22)28)17-10-6-11-18-34-26-30-23-12-7-8-13-24(23)31(26)2/h7-8,12-15,19H,3-6,9-11,16-18H2,1-2H3,(H,29,33)
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n/an/a 3.02E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450335
PNG
(CHEMBL416998)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H32F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,29)(H,30,32)
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n/an/a 3.10E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450332
PNG
(CHEMBL45740)
Show SMILES CCCCCCCN(CCCCCSc1ncccn1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C23H32F2N4OS/c1-2-3-4-5-7-15-29(23(30)28-21-12-11-19(24)18-20(21)25)16-8-6-9-17-31-22-26-13-10-14-27-22/h10-14,18H,2-9,15-17H2,1H3,(H,28,30)
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n/an/a 3.30E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450327
PNG
(CHEMBL300518)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)30-21-11-10-18(25)15-20(21)26)13-8-6-9-14-34-23-19-16-29-31-22(19)27-17-28-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,30,33)(H,27,28,29,31)
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n/an/a 3.31E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450343
PNG
(CHEMBL432696)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2o1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H31F2N3O2S/c1-2-3-4-8-15-30(24(31)28-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-25-29-22-11-6-7-12-23(22)32-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,31)
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n/an/a 3.50E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037635
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1-methyl-4,...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1C)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-3-4-5-6-14-23-41(34(42)38-31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-35-39-32(27-17-10-7-11-18-27)33(40(35)2)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,3-6,9,14-16,23-25H2,1-2H3,(H,38,42)
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n/an/a 3.56E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450324
PNG
(CHEMBL45913)
Show SMILES CCCCCCN(CCCCCSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)NC(C)C
Show InChI InChI=1S/C22H38N6O3S/c1-6-7-8-10-13-28(21(30)23-16(2)3)14-11-9-12-15-32-20-24-17-18(25-20)26(4)22(31)27(5)19(17)29/h16H,6-15H2,1-5H3,(H,23,30)(H,24,25)
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n/an/a 3.60E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450318
PNG
(CHEMBL49398)
Show SMILES CCCCCCN(CCCCCSc1nc2ccc[nH]c2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H31F2N5OS/c1-2-3-4-6-14-31(24(32)29-20-12-11-18(25)17-19(20)26)15-7-5-8-16-33-23-28-21-10-9-13-27-22(21)30-23/h9-13,17H,2-8,14-16H2,1H3,(H,29,32)(H,27,28,30)
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n/an/a 3.60E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50037635
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1-methyl-4,...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1C)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-3-4-5-6-14-23-41(34(42)38-31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-35-39-32(27-17-10-7-11-18-27)33(40(35)2)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,3-6,9,14-16,23-25H2,1-2H3,(H,38,42)
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n/an/a 3.80E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450336
PNG
(CHEMBL45964)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H31F2N3OS2/c1-2-3-4-8-15-30(24(31)28-21-14-13-19(26)18-20(21)27)16-9-5-10-17-32-25-29-22-11-6-7-12-23(22)33-25/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,31)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450315
PNG
(CHEMBL46387)
Show SMILES CCCCCCCN(CCCCCSc1ccccn1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H33F2N3OS/c1-2-3-4-5-9-16-29(24(30)28-22-14-13-20(25)19-21(22)26)17-10-6-11-18-31-23-12-7-8-15-27-23/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,28,30)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450342
PNG
(CHEMBL295286)
Show SMILES CCCCCCCN(CCCCCSc1n[nH]c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H35F2N5OS/c1-2-3-4-5-10-17-34(27(35)30-24-16-15-22(28)20-23(24)29)18-11-7-12-19-36-26-31-25(32-33-26)21-13-8-6-9-14-21/h6,8-9,13-16,20H,2-5,7,10-12,17-19H2,1H3,(H,30,35)(H,31,32,33)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450341
PNG
(CHEMBL297676)
Show SMILES CCCCCCCN(CCCCCSc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H34F2N4O2S/c1-2-3-4-5-9-16-33(27(35)31-24-15-14-20(28)19-22(24)29)17-10-6-11-18-36-26-30-23-13-8-7-12-21(23)25(34)32-26/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,31,35)(H,30,32,34)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450342
PNG
(CHEMBL295286)
Show SMILES CCCCCCCN(CCCCCSc1n[nH]c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H35F2N5OS/c1-2-3-4-5-10-17-34(27(35)30-24-16-15-22(28)20-23(24)29)18-11-7-12-19-36-26-31-25(32-33-26)21-13-8-6-9-14-21/h6,8-9,13-16,20H,2-5,7,10-12,17-19H2,1H3,(H,30,35)(H,31,32,33)
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n/an/a 4.18E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450344
PNG
(CHEMBL289648)
Show SMILES CCCCCCCN(CCCCCSc1nc(N)c2c[nH]nc2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H33F2N7OS/c1-2-3-4-5-7-12-33(24(34)29-20-11-10-17(25)15-19(20)26)13-8-6-9-14-35-23-30-21(27)18-16-28-32-22(18)31-23/h10-11,15-16H,2-9,12-14H2,1H3,(H,29,34)(H3,27,28,30,31,32)
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n/an/a 4.23E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450328
PNG
(CHEMBL44610)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2nncc12)C(=O)NC(C)C
Show InChI InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)25-17(2)3)13-10-8-11-14-29-20-18-15-24-26-19(18)22-16-23-20/h15-17H,4-14H2,1-3H3,(H,25,28)(H,22,23,24,26)
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n/an/a 4.35E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450332
PNG
(CHEMBL45740)
Show SMILES CCCCCCCN(CCCCCSc1ncccn1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C23H32F2N4OS/c1-2-3-4-5-7-15-29(23(30)28-21-12-11-19(24)18-20(21)25)16-8-6-9-17-31-22-26-13-10-14-27-22/h10-14,18H,2-9,15-17H2,1H3,(H,28,30)
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n/an/a 4.37E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450315
PNG
(CHEMBL46387)
Show SMILES CCCCCCCN(CCCCCSc1ccccn1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H33F2N3OS/c1-2-3-4-5-9-16-29(24(30)28-22-14-13-20(25)19-21(22)26)17-10-6-11-18-31-23-12-7-8-15-27-23/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,28,30)
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n/an/a 4.51E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450339
PNG
(CHEMBL45184)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(OCC)ccc2s1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C27H35F2N3O2S2/c1-3-5-6-8-15-32(26(33)30-23-13-11-20(28)18-22(23)29)16-9-7-10-17-35-27-31-24-19-21(34-4-2)12-14-25(24)36-27/h11-14,18-19H,3-10,15-17H2,1-2H3,(H,30,33)
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n/an/a 4.54E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450334
PNG
(CHEMBL49957)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C
Show InChI InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)26-17(2)3)13-10-8-11-14-29-20-18-19(23-15-22-18)24-16-25-20/h15-17H,4-14H2,1-3H3,(H,26,28)(H,22,23,24,25)
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n/an/a 4.72E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450325
PNG
(CHEMBL50554)
Show SMILES CCCCCCCN(CCCCCSc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H39F2N5OS/c1-2-3-4-5-13-22-39(32(41)36-30-21-20-27(34)25-29(30)35)23-14-8-15-24-42-33-38-37-31(26-16-9-6-10-17-26)40(33)28-18-11-7-12-19-28/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,36,41)
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n/an/a 4.80E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450340
PNG
(CHEMBL48106)
Show SMILES CCCCCCCN(CCCCCSc1nc[nH]n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C21H31F2N5OS/c1-2-3-4-5-7-12-28(13-8-6-9-14-30-20-24-16-25-27-20)21(29)26-19-11-10-17(22)15-18(19)23/h10-11,15-16H,2-9,12-14H2,1H3,(H,26,29)(H,24,25,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450338
PNG
(CHEMBL416816)
Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H32F2N6OS/c1-2-3-4-5-7-12-32(24(33)31-20-11-10-18(25)15-19(20)26)13-8-6-9-14-34-23-21-22(28-16-27-21)29-17-30-23/h10-11,15-17H,2-9,12-14H2,1H3,(H,31,33)(H,27,28,29,30)
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n/an/a 5.32E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450318
PNG
(CHEMBL49398)
Show SMILES CCCCCCN(CCCCCSc1nc2ccc[nH]c2n1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H31F2N5OS/c1-2-3-4-6-14-31(24(32)29-20-12-11-18(25)17-19(20)26)15-7-5-8-16-33-23-28-21-10-9-13-27-22(21)30-23/h9-13,17H,2-8,14-16H2,1H3,(H,29,32)(H,27,28,30)
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n/an/a 5.47E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50037630
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1H-imidazol...)
Show SMILES CCCCCCCN(CCCCCSc1ncc[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H32F2N4OS/c1-2-3-4-5-7-14-28(15-8-6-9-16-30-21-25-12-13-26-21)22(29)27-20-11-10-18(23)17-19(20)24/h10-13,17H,2-9,14-16H2,1H3,(H,25,26)(H,27,29)
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n/an/a 5.50E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50037643
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(1,4-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(cn1-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-39(33(41)37-31-21-20-28(35)25-30(31)36)23-14-8-15-24-42-34-38-32(27-16-9-6-10-17-27)26-40(34)29-18-11-7-12-19-29/h6-7,9-12,16-21,25-26H,2-5,8,13-15,22-24H2,1H3,(H,37,41)
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n/an/a 6.02E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450321
PNG
(CHEMBL45915)
Show SMILES CCCCCCCN(CCCCCSC1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-14-21-35(31(37)32-24(2)3)22-15-9-16-23-38-30-29(36)33-27-20-13-12-19-26(27)28(34-30)25-17-10-8-11-18-25/h8,10-13,17-20,24,30H,4-7,9,14-16,21-23H2,1-3H3,(H,32,37)(H,33,36)
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n/an/a 6.53E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
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