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Compile Data Set for Download or QSAR

Found 27 hits from Azwell Inc.   
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
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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n/an/a 15n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 36n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 36n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 43n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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n/an/a 89n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from Caco-2 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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n/an/a 137n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from Caco-2 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from Caco-2 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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n/an/a 554n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 619n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 838n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from HepG2 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 926n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from U937 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 3.57E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 4.59E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from HepG2 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 4.65E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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n/an/a 5.87E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from U937 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Homo sapiens (human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 7.24E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from U937 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


Article DOI: 10.1016/s0960-894x(99)00330-3
BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair