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Articleid 50029473

Compile data set for download or QSAR
Found 9 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
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50284874
PNG
(1-(2,6-Diisopropyl-phenyl)-3-((4R,5R)-4,5-dimethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccccc1
Show InChI InChI=1S/C25H34N2O3/c1-16(2)21-13-10-14-22(17(3)4)23(21)27-24(28)26-15-25(20-11-8-7-9-12-20)29-18(5)19(6)30-25/h7-14,16-19H,15H2,1-6H3,(H2,26,27,28)/t18-,19-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit thoracic aorta

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50284873
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[(4R,5R)-2-(4-hydroxy...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(O)cc1
Show InChI InChI=1S/C25H34N2O4/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(29)26-14-25(30-17(5)18(6)31-25)19-10-12-20(28)13-11-19/h7-13,15-18,28H,14H2,1-6H3,(H2,26,27,29)/t17-,18-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit intestinal mucosa

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50284874
PNG
(1-(2,6-Diisopropyl-phenyl)-3-((4R,5R)-4,5-dimethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccccc1
Show InChI InChI=1S/C25H34N2O3/c1-16(2)21-13-10-14-22(17(3)4)23(21)27-24(28)26-15-25(20-11-8-7-9-12-20)29-18(5)19(6)30-25/h7-14,16-19H,15H2,1-6H3,(H2,26,27,28)/t18-,19-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit intestinal mucosa

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50284874
PNG
(1-(2,6-Diisopropyl-phenyl)-3-((4R,5R)-4,5-dimethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccccc1
Show InChI InChI=1S/C25H34N2O3/c1-16(2)21-13-10-14-22(17(3)4)23(21)27-24(28)26-15-25(20-11-8-7-9-12-20)29-18(5)19(6)30-25/h7-14,16-19H,15H2,1-6H3,(H2,26,27,28)/t18-,19-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from monkey liver

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50284873
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[(4R,5R)-2-(4-hydroxy...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(O)cc1
Show InChI InChI=1S/C25H34N2O4/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(29)26-14-25(30-17(5)18(6)31-25)19-10-12-20(28)13-11-19/h7-13,15-18,28H,14H2,1-6H3,(H2,26,27,29)/t17-,18-/m1/s1
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n/an/a 119n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit thoracic aorta

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50284873
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[(4R,5R)-2-(4-hydroxy...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(O)cc1
Show InChI InChI=1S/C25H34N2O4/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(29)26-14-25(30-17(5)18(6)31-25)19-10-12-20(28)13-11-19/h7-13,15-18,28H,14H2,1-6H3,(H2,26,27,29)/t17-,18-/m1/s1
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n/an/a 119n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit thoracic aorta

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50284875
PNG
(CHEMBL41967 | Phosphoric acid mono-(4-{(4R,5R)-2-[...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(OP(O)(O)=O)cc1
Show InChI InChI=1S/C25H35N2O7P/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(28)26-14-25(32-17(5)18(6)33-25)19-10-12-20(13-11-19)34-35(29,30)31/h7-13,15-18H,14H2,1-6H3,(H2,26,27,28)(H2,29,30,31)/t17-,18-/m1/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit intestinal mucosa

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50284875
PNG
(CHEMBL41967 | Phosphoric acid mono-(4-{(4R,5R)-2-[...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(OP(O)(O)=O)cc1
Show InChI InChI=1S/C25H35N2O7P/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(28)26-14-25(32-17(5)18(6)33-25)19-10-12-20(13-11-19)34-35(29,30)31/h7-13,15-18H,14H2,1-6H3,(H2,26,27,28)(H2,29,30,31)/t17-,18-/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit thoracic aorta

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50284875
PNG
(CHEMBL41967 | Phosphoric acid mono-(4-{(4R,5R)-2-[...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O[C@H](C)[C@@H](C)O1)c1ccc(OP(O)(O)=O)cc1
Show InChI InChI=1S/C25H35N2O7P/c1-15(2)21-8-7-9-22(16(3)4)23(21)27-24(28)26-14-25(32-17(5)18(6)33-25)19-10-12-20(13-11-19)34-35(29,30)31/h7-13,15-18H,14H2,1-6H3,(H2,26,27,28)(H2,29,30,31)/t17-,18-/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acylcoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit thoracic aorta

Bioorg Med Chem Lett 5: 1581-1586 (1995)


Article DOI: 10.1016/0960-894X(95)00275-X
BindingDB Entry DOI: 10.7270/Q2222TPK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%