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PubMed code 11708931

Compile data set for download or QSAR
Found 44 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)
BDBM50106700
PNG
(1-[6-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-hexyl]...)
Show SMILES Cc1cc(C)n(CCCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C26H30N4OS/c1-20-19-21(2)30(29-20)17-11-3-4-12-18-32(31)26-27-24(22-13-7-5-8-14-22)25(28-26)23-15-9-6-10-16-23/h5-10,13-16,19H,3-4,11-12,17-18H2,1-2H3,(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50106693
PNG
((5,6-Diphenyl-pyridazin-3-yl)-octyl-amine | CHEMBL...)
Show SMILES CCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl-coenzyme A:cholesterol acyltransferase in macrophages


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50106685
PNG
(6-Heptyloxy-3,4-diphenyl-pyridazine | CHEMBL422286)
Show SMILES CCCCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl-coenzyme A:cholesterol acyltransferase in macrophages


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50106676
PNG
((5,6-Diphenyl-pyridazin-3-yl)-nonyl-amine | CHEMBL...)
Show SMILES CCCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H31N3/c1-2-3-4-5-6-7-14-19-26-24-20-23(21-15-10-8-11-16-21)25(28-27-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3,(H,26,27)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl-coenzyme A:cholesterol acyltransferase in macrophages


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106676
PNG
((5,6-Diphenyl-pyridazin-3-yl)-nonyl-amine | CHEMBL...)
Show SMILES CCCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H31N3/c1-2-3-4-5-6-7-14-19-26-24-20-23(21-15-10-8-11-16-21)25(28-27-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3,(H,26,27)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106672
PNG
((5,6-Diphenyl-pyridazin-3-yl)-hexyl-amine | CHEMBL...)
Show SMILES CCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-2-3-4-11-16-23-21-17-20(18-12-7-5-8-13-18)22(25-24-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,23,24)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106704
PNG
(6-(Octane-1-sulfonyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCCCS(=O)(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2S/c1-2-3-4-5-6-13-18-29(27,28)23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106693
PNG
((5,6-Diphenyl-pyridazin-3-yl)-octyl-amine | CHEMBL...)
Show SMILES CCCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106701
PNG
(CHEMBL435980 | Formic acid 5,5,6a,12b-tetramethyl-...)
Show SMILES CC1(C)C[C@@]2(C)Cc3cc(oc(=O)c3C[C@@H]2[C@@]2(C)CC[C@@H](CC12)OC=O)-c1cccnc1
Show InChI InChI=1S/C27H33NO4/c1-25(2)15-26(3)13-18-10-21(17-6-5-9-28-14-17)32-24(30)20(18)12-23(26)27(4)8-7-19(31-16-29)11-22(25)27/h5-6,9-10,14,16,19,22-23H,7-8,11-13,15H2,1-4H3/t19-,22?,23-,26+,27-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106690
PNG
(6-(Heptane-1-sulfonyl)-3,4-diphenyl-pyridazine | C...)
Show SMILES CCCCCCCS(=O)(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2S/c1-2-3-4-5-12-17-28(26,27)22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106680
PNG
((5,6-Diphenyl-pyridazin-3-yl)-heptyl-amine | CHEMB...)
Show SMILES CCCCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H27N3/c1-2-3-4-5-12-17-24-22-18-21(19-13-8-6-9-14-19)23(26-25-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3,(H,24,25)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106702
PNG
(2-Hexyl-4-methyl-5,6-diphenyl-2H-pyridazin-3-one |...)
Show SMILES CCCCCCn1nc(-c2ccccc2)c(c(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H26N2O/c1-3-4-5-12-17-25-23(26)18(2)21(19-13-8-6-9-14-19)22(24-25)20-15-10-7-11-16-20/h6-11,13-16H,3-5,12,17H2,1-2H3
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n/an/a 5.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106686
PNG
(2-Hexyl-5,6-diphenyl-2H-pyridazin-3-one | CHEMBL13...)
Show SMILES CCCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-2-3-4-11-16-24-21(25)17-20(18-12-7-5-8-13-18)22(23-24)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
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n/an/a 5.70E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106685
PNG
(6-Heptyloxy-3,4-diphenyl-pyridazine | CHEMBL422286)
Show SMILES CCCCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106689
PNG
(6-(Hexane-1-sulfonyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCS(=O)(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c1-2-3-4-11-16-27(25,26)21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106703
PNG
(6-Hexylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL13...)
Show SMILES CCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H24N2S/c1-2-3-4-11-16-25-21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
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n/an/a 6.20E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106678
PNG
(2-Pentyl-5,6-diphenyl-2H-pyridazin-3-one | CHEMBL1...)
Show SMILES CCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-2-3-10-15-23-20(24)16-19(17-11-6-4-7-12-17)21(22-23)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3
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n/an/a 6.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106684
PNG
(6-Hexyloxy-3,4-diphenyl-pyridazine | CHEMBL133095)
Show SMILES CCCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-2-3-4-11-16-25-21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106706
PNG
(6-Pentyloxy-3,4-diphenyl-pyridazine | CHEMBL345073)
Show SMILES CCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-2-3-10-15-24-20-16-19(17-11-6-4-7-12-17)21(23-22-20)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3
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n/an/a 7.30E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106709
PNG
(6-(Hexane-1-sulfinyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H24N2OS/c1-2-3-4-11-16-26(25)21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106677
PNG
(6-Heptylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL1...)
Show SMILES CCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N2S/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106688
PNG
(6-(Nonane-1-sulfonyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCCCCS(=O)(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O2S/c1-2-3-4-5-6-7-14-19-30(28,29)24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106682
PNG
(6-(Heptane-1-sulfinyl)-3,4-diphenyl-pyridazine | C...)
Show SMILES CCCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N2OS/c1-2-3-4-5-12-17-27(26)22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
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n/an/a 7.70E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106705
PNG
(2-Octyl-5,6-diphenyl-2H-pyridazin-3-one | CHEMBL33...)
Show SMILES CCCCCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C24H28N2O/c1-2-3-4-5-6-13-18-26-23(27)19-22(20-14-9-7-10-15-20)24(25-26)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106695
PNG
(2-Nonyl-5,6-diphenyl-2H-pyridazin-3-one | CHEMBL33...)
Show SMILES CCCCCCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C25H30N2O/c1-2-3-4-5-6-7-14-19-27-24(28)20-23(21-15-10-8-11-16-21)25(26-27)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106681
PNG
(2-Heptyl-5,6-diphenyl-2H-pyridazin-3-one | CHEMBL1...)
Show SMILES CCCCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C23H26N2O/c1-2-3-4-5-12-17-25-22(26)18-21(19-13-8-6-9-14-19)23(24-25)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
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n/an/a 8.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106710
PNG
(6-(Nonane-1-sulfinyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H30N2OS/c1-2-3-4-5-6-7-14-19-29(28)24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106692
PNG
(6-(Octane-1-sulfinyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N2OS/c1-2-3-4-5-6-13-18-28(27)23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
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n/an/a 9.20E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106697
PNG
(6-Octyloxy-3,4-diphenyl-pyridazine | CHEMBL136099)
Show SMILES CCCCCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N2O/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
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n/an/a 1.04E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106694
PNG
(6-Nonylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL33...)
Show SMILES CCCCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H30N2S/c1-2-3-4-5-6-7-14-19-28-24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
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n/an/a 1.16E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106699
PNG
(2-Cyclopentyl-5,6-diphenyl-2H-pyridazin-3-one | CH...)
Show SMILES O=c1cc(-c2ccccc2)c(nn1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C21H20N2O/c24-20-15-19(16-9-3-1-4-10-16)21(17-11-5-2-6-12-17)22-23(20)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2
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n/an/a 1.19E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106675
PNG
(6-Octylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL33...)
Show SMILES CCCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N2S/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106708
PNG
(2-Isopropyl-5,6-diphenyl-2H-pyridazin-3-one | CHEM...)
Show SMILES CC(C)n1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C19H18N2O/c1-14(2)21-18(22)13-17(15-9-5-3-6-10-15)19(20-21)16-11-7-4-8-12-16/h3-14H,1-2H3
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n/an/a 1.52E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106696
PNG
(2-Butyl-5,6-diphenyl-2H-pyridazin-3-one | CHEMBL34...)
Show SMILES CCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-2-3-14-22-19(23)15-18(16-10-6-4-7-11-16)20(21-22)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
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n/an/a 1.76E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106707
PNG
(6-Nonyloxy-3,4-diphenyl-pyridazine | CHEMBL137300)
Show SMILES CCCCCCCCCOc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H30N2O/c1-2-3-4-5-6-7-14-19-28-24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
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n/an/a 1.80E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106679
PNG
(5,6-Diphenyl-2-propyl-2H-pyridazin-3-one | CHEMBL1...)
Show SMILES CCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C19H18N2O/c1-2-13-21-18(22)14-17(15-9-5-3-6-10-15)19(20-21)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3
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n/an/a 2.30E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106674
PNG
(7-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-heptanoic ...)
Show SMILES OC(=O)CCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O2S/c26-22(27)15-9-1-2-10-16-28-21-17-20(18-11-5-3-6-12-18)23(25-24-21)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,26,27)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106687
PNG
(7-(6-Oxo-3,4-diphenyl-6H-pyridazin-1-yl)-heptanoic...)
Show SMILES OC(=O)CCCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C23H24N2O3/c26-21-17-20(18-11-5-3-6-12-18)23(19-13-7-4-8-14-19)24-25(21)16-10-2-1-9-15-22(27)28/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,27,28)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106683
PNG
(9-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-nonanoic a...)
Show SMILES OC(=O)CCCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O2S/c28-24(29)17-11-3-1-2-4-12-18-30-23-19-22(20-13-7-5-8-14-20)25(27-26-23)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,28,29)
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Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106698
PNG
(2-Cyclohexyl-5,6-diphenyl-2H-pyridazin-3-one | CHE...)
Show SMILES O=c1cc(-c2ccccc2)c(nn1C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O/c25-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23-24(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106691
PNG
(CHEMBL337896 | Hexanoic acid (5,6-diphenyl-pyridaz...)
Show SMILES CCCCCC(=O)Nc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O/c1-2-3-6-15-21(26)23-20-16-19(17-11-7-4-8-12-17)22(25-24-20)18-13-9-5-10-14-18/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,23,24,26)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50002953
PNG
(8-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-octanoic a...)
Show SMILES OC(=O)CCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2S/c27-23(28)16-10-2-1-3-11-17-29-22-18-21(19-12-6-4-7-13-19)24(26-25-22)20-14-8-5-9-15-20/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,27,28)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50002956
PNG
(8-(6-Oxo-3,4-diphenyl-6H-pyridazin-1-yl)-octanoic ...)
Show SMILES OC(=O)CCCCCCCn1nc(-c2ccccc2)c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c27-22-18-21(19-12-6-4-7-13-19)24(20-14-8-5-9-15-20)25-26(22)17-11-3-1-2-10-16-23(28)29/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,28,29)
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Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50106673
PNG
(6-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-hexanoic a...)
Show SMILES OC(=O)CCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O2S/c25-21(26)14-8-3-9-15-27-20-16-19(17-10-4-1-5-11-17)22(24-23-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,25,26)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%