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4 similar compounds to monomer 50450335

Compile data set for download or QSAR
Wt: 488.6
BDBM50450337
Wt: 488.6
BDBM50450323
Wt: 519.6
BDBM50450314
Wt: 438.5
BDBM50037630

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50450337,50450323,50450314,50037630   
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, 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
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
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)
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
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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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
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)
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)
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 8.33E+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)
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