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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'bridge' and Initial = 'aw'   
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)
BDBM50051895
PNG
(2-(2,4-Dioxa-spiro[5.5]undec-3-yl)-4,5-diphenyl-1H...)
Show SMILES C1CCC2(CC1)COC(OC2)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)
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n/an/a 4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(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



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 microsomes


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051894
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CC1 |(14.57,1.37,;13.09,.98,;12.67,-.5,;11.19,-.89,;10.78,-2.39,;11.87,-3.46,;13.36,-3.08,;13.76,-1.59,;11.47,-4.95,;9.98,-5.35,;9.57,-6.84,;10.66,-7.94,;10.27,-9.43,;11.05,-10.76,;10.29,-12.1,;11,-13.36,;9.87,-14.42,;10.97,-15.5,;9.12,-15.76,;7.4,-15.14,;6.21,-15.56,;6.98,-14.21,;8.61,-14.84,;4.88,-14.79,;4.48,-13.3,;2.94,-13.23,;2.39,-14.67,;3.59,-15.63,;.89,-15.07,;-.19,-13.97,;-1.67,-14.39,;-2.07,-15.88,;-.97,-16.96,;.51,-16.55,;2.08,-11.94,;2.78,-10.56,;1.94,-9.28,;.4,-9.36,;-.28,-10.73,;.56,-12.01,;12.15,-7.53,;12.55,-6.05,)|
Show InChI InChI=1S/C35H42N4O3/c1-35(19-9-10-20-38-21-23-39(24-22-38)29-15-17-30(40-2)18-16-29)25-41-34(42-26-35)33-36-31(27-11-5-3-6-12-27)32(37-33)28-13-7-4-8-14-28/h3-8,11-18,34H,9-10,19-26H2,1-2H3,(H,36,37)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280419
PNG
(2-[3-(1-Methyl-1H-imidazole-2-sulfonyl)-propylsulf...)
Show SMILES Cn1ccnc1S(=O)(=O)CCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2S2/c1-26-14-13-23-22(26)30(27,28)16-8-15-29-21-24-19(17-9-4-2-5-10-17)20(25-21)18-11-6-3-7-12-18/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Cricetulus griseus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from hamster liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280416
PNG
(2-[3-(1-Methyl-1H-imidazol-2-ylsulfanyl)-propylsul...)
Show SMILES Cn1ccnc1SCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4S2/c1-26-14-13-23-22(26)28-16-8-15-27-21-24-19(17-9-4-2-5-10-17)20(25-21)18-11-6-3-7-12-18/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051897
PNG
(2-(5,5-Diethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-i...)
Show SMILES CCC1(CC)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-3-23(4-2)15-26-22(27-16-23)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h5-14,22H,3-4,15-16H2,1-2H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051881
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)|
Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280422
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES C(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCn1cccn1
Show InChI InChI=1S/C23H24N4S/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)26-23(25-21)28-18-9-3-8-16-27-17-10-15-24-27/h1-2,4-7,10-15,17H,3,8-9,16,18H2,(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051881
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)|
Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)
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n/an/a 25n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 25n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50003845
PNG
(6-(4,5-Diphenyl-1H-imidazol-2-ylsulfanylmethyl)-2-...)
Show SMILES CO[C@]1(C)C[C@H](O)C[C@@H](CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)O1
Show InChI InChI=1S/C23H26N2O3S/c1-23(27-2)14-18(26)13-19(28-23)15-29-22-24-20(16-9-5-3-6-10-16)21(25-22)17-11-7-4-8-12-17/h3-12,18-19,26H,13-15H2,1-2H3,(H,24,25)/t18-,19+,23+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome


J Med Chem 35: 4384-92 (1992)


BindingDB Entry DOI: 10.7270/Q218374H
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from cholesterol fed rabbit gut


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280418
PNG
(2-[4-(1-Methyl-1H-imidazol-2-ylsulfanyl)-butylsulf...)
Show SMILES Cn1ccnc1SCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N4S2/c1-27-15-14-24-23(27)29-17-9-8-16-28-22-25-20(18-10-4-2-5-11-18)21(26-22)19-12-6-3-7-13-19/h2-7,10-15H,8-9,16-17H2,1H3,(H,25,26)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholest...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from pig liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of rabbit arterial Acyl coenzyme A:cholesterol acyltransferase


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280421
PNG
(2-[5-(1H-Imidazol-2-ylsulfanyl)-pentylsulfanyl]-4,...)
Show SMILES C(CCSc1ncc[nH]1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N4S2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)27-23(26-20)29-17-9-3-8-16-28-22-24-14-15-25-22/h1-2,4-7,10-15H,3,8-9,16-17H2,(H,24,25)(H,26,27)
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from marmoset gut


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of ACAT from rat gut


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50003811
PNG
(2-(3-[1,3]Dioxan-2-yl-propylsulfanyl)-4,5-diphenyl...)
Show SMILES C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CC1OCCCO1
Show InChI InChI=1S/C22H24N2O2S/c1-3-9-17(10-4-1)20-21(18-11-5-2-6-12-18)24-22(23-20)27-16-7-13-19-25-14-8-15-26-19/h1-6,9-12,19H,7-8,13-16H2,(H,23,24)
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n/an/a 47n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome


J Med Chem 35: 4384-92 (1992)


BindingDB Entry DOI: 10.7270/Q218374H
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280420
PNG
(1-[6-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-hexyl...)
Show SMILES C(CCCn1cccn1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H26N4S/c1(9-17-28-18-11-16-25-28)2-10-19-29-24-26-22(20-12-5-3-6-13-20)23(27-24)21-14-7-4-8-15-21/h3-8,11-16,18H,1-2,9-10,17,19H2,(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50280417
PNG
(1-[3-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-propy...)
Show SMILES C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)Cn1cccn1
Show InChI InChI=1S/C21H20N4S/c1-3-9-17(10-4-1)19-20(18-11-5-2-6-12-18)24-21(23-19)26-16-8-15-25-14-7-13-22-25/h1-7,9-14H,8,15-16H2,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051888
PNG
(CHEMBL284378 | {4-[2-(4,5-Diphenyl-1H-imidazol-2-y...)
Show SMILES CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1 |(11.88,.67,;10.34,.67,;9.95,-.82,;10.74,-2.15,;9.97,-3.48,;10.69,-4.74,;9.55,-5.82,;10.65,-6.89,;8.8,-7.15,;7.08,-6.54,;5.89,-6.96,;6.66,-5.61,;8.29,-6.24,;4.56,-6.19,;4.14,-4.7,;2.62,-4.63,;2.06,-6.05,;3.27,-7.03,;.57,-6.47,;-.51,-5.37,;-2,-5.77,;-2.4,-7.26,;-1.3,-8.36,;.19,-7.94,;1.76,-3.32,;2.46,-1.94,;1.62,-.66,;.08,-.75,;-.6,-2.13,;.24,-3.41,;10.34,2.21,;8.99,2.98,;8.97,4.5,;10.3,5.29,;11.65,4.54,;11.67,3,)|
Show InChI InChI=1S/C30H34N4O2/c1-30(18-10-12-20-34(2)25-17-9-11-19-31-25)21-35-29(36-22-30)28-32-26(23-13-5-3-6-14-23)27(33-28)24-15-7-4-8-16-24/h3-9,11,13-17,19,29H,10,12,18,20-22H2,1-2H3,(H,32,33)
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n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051898
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;11.98,-.93,;12.58,.48,;14.12,.33,;14.45,-1.17,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
Show InChI InChI=1S/C31H37N5O2S/c1-31(14-8-9-16-35-17-19-36(20-18-35)30-32-15-21-39-30)22-37-29(38-23-31)28-33-26(24-10-4-2-5-11-24)27(34-28)25-12-6-3-7-13-25/h2-7,10-13,15,21,29H,8-9,14,16-20,22-23H2,1H3,(H,33,34)
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n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 sonicate


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051883
PNG
(1-{5-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(10.96,-4.93,;10.8,-6.47,;9.47,-7.23,;9.8,-8.75,;8.77,-9.89,;11.34,-8.91,;12.12,-10.26,;11.03,-11.35,;11.8,-12.69,;11.05,-14.02,;11.83,-15.36,;11.84,-16.9,;13.17,-17.67,;11.08,-18.24,;9.36,-17.63,;8.18,-18.05,;8.94,-16.7,;10.57,-17.32,;6.84,-17.28,;6.43,-15.79,;4.9,-15.72,;4.34,-17.16,;5.55,-18.12,;2.85,-17.56,;1.77,-16.47,;.29,-16.88,;-.11,-18.37,;.99,-19.45,;2.47,-19.05,;4.04,-14.43,;4.74,-13.06,;3.9,-11.77,;2.36,-11.85,;1.68,-13.23,;2.52,-14.51,;11.96,-7.49,)|
Show InChI InChI=1S/C30H36N4O2/c1-22-19-23(2)34(33-22)18-12-6-11-17-30(3)20-35-29(36-21-30)28-31-26(24-13-7-4-8-14-24)27(32-28)25-15-9-5-10-16-25/h4-5,7-10,13-16,19,29H,6,11-12,17-18,20-21H2,1-3H3,(H,31,32)
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n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051890
PNG
(2-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCc3ccccc3C2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(11.65,-14.64,;10.9,-13.31,;12.1,-12.35,;13.52,-12.87,;14.71,-11.9,;16.16,-12.44,;17.36,-11.46,;17.35,-9.92,;18.69,-9.15,;20.02,-9.92,;21.33,-9.17,;22.66,-9.95,;22.66,-11.46,;21.32,-12.23,;20,-11.46,;18.69,-12.24,;9.62,-13.73,;7.98,-13.12,;7.22,-14.47,;8.4,-14.05,;10.13,-14.66,;5.88,-13.69,;5.47,-12.19,;3.93,-12.12,;3.37,-13.57,;4.57,-14.54,;1.88,-13.97,;.8,-12.88,;-.69,-13.29,;-1.09,-14.79,;.01,-15.86,;1.5,-15.46,;3.07,-10.83,;3.77,-9.45,;2.93,-8.17,;1.39,-8.24,;.7,-9.63,;1.54,-10.92,)|
Show InChI InChI=1S/C33H37N3O2/c1-33(19-10-11-20-36-21-18-25-12-8-9-17-28(25)22-36)23-37-32(38-24-33)31-34-29(26-13-4-2-5-14-26)30(35-31)27-15-6-3-7-16-27/h2-9,12-17,32H,10-11,18-24H2,1H3,(H,34,35)
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n/an/a 60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from cholesterol fed rabbit liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50368461
PNG
(CHEMBL1794871)
Show SMILES Cc1cccc(c1)-c1nc(SC[C@H]2C[C@](C)(O)CC(=O)O2)[nH]c1-c1cccc(C)c1 |r|
Show InChI InChI=1S/C24H26N2O3S/c1-15-6-4-8-17(10-15)21-22(18-9-5-7-16(2)11-18)26-23(25-21)30-14-19-12-24(3,28)13-20(27)29-19/h4-11,19,28H,12-14H2,1-3H3,(H,25,26)/t19-,24+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome


J Med Chem 35: 4384-92 (1992)


BindingDB Entry DOI: 10.7270/Q218374H
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 69n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from human liver


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50003829
PNG
(2-(3,3-Diethoxy-propylsulfanyl)-4,5-diphenyl-1H-im...)
Show SMILES CCOC(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)OCC
Show InChI InChI=1S/C22H26N2O2S/c1-3-25-19(26-4-2)15-16-27-22-23-20(17-11-7-5-8-12-17)21(24-22)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,23,24)
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n/an/a 69n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome


J Med Chem 35: 4384-92 (1992)


BindingDB Entry DOI: 10.7270/Q218374H
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051904
PNG
(4-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCSCC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.94,;12.81,-13.17,;13.21,-11.69,;12.13,-10.59,;12.54,-9.11,;11.46,-8.01,;11.88,-6.52,;10.79,-5.44,;11.21,-3.94,;12.7,-3.55,;13.77,-4.67,;13.35,-6.14,;11.53,-13.59,;9.9,-12.97,;9.15,-14.33,;10.32,-13.91,;12.05,-14.51,;7.8,-13.54,;7.4,-12.05,;5.86,-11.98,;5.3,-13.42,;6.51,-14.4,;3.81,-13.82,;3.43,-15.31,;1.94,-15.71,;.85,-14.64,;1.24,-13.14,;2.73,-12.74,;5,-10.69,;5.7,-9.32,;4.86,-8.03,;3.32,-8.1,;2.64,-9.5,;3.48,-10.78,)|
Show InChI InChI=1S/C28H35N3O2S/c1-28(14-8-9-15-31-16-18-34-19-17-31)20-32-27(33-21-28)26-29-24(22-10-4-2-5-11-22)25(30-26)23-12-6-3-7-13-23/h2-7,10-13,27H,8-9,14-21H2,1H3,(H,29,30)
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n/an/a 70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051891
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCN(CC2)c2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.62,-13.02,;9.29,-12.25,;10.04,-10.9,;8.94,-9.81,;9.71,-8.48,;8.61,-7.37,;8.99,-5.88,;10.48,-5.51,;10.92,-4.04,;9.85,-2.92,;8.36,-3.3,;7.92,-4.77,;10.27,-1.45,;11.77,-1.08,;12.21,.4,;11.14,1.51,;9.64,1.14,;9.22,-.33,;8.01,-12.67,;6.38,-12.05,;5.62,-13.4,;6.8,-12.98,;8.52,-13.59,;4.28,-12.63,;3.86,-11.14,;2.33,-11.07,;1.78,-12.51,;2.99,-13.47,;.29,-12.91,;-.79,-11.81,;-2.28,-12.23,;-2.68,-13.72,;-1.58,-14.8,;-.09,-14.4,;1.48,-9.78,;2.18,-8.4,;1.34,-7.12,;-.2,-7.19,;-.89,-8.57,;-.05,-9.85,)|
Show InChI InChI=1S/C34H40N4O2/c1-34(19-11-12-20-37-21-23-38(24-22-37)29-17-9-4-10-18-29)25-39-33(40-26-34)32-35-30(27-13-5-2-6-14-27)31(36-32)28-15-7-3-8-16-28/h2-10,13-18,33H,11-12,19-26H2,1H3,(H,35,36)
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n/an/a 70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051881
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES Cc1cc(C)n(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1 |(17.48,-4.71,;16.19,-5.55,;14.76,-4.99,;13.79,-6.2,;12.25,-6.13,;14.64,-7.49,;14.24,-8.98,;12.75,-9.39,;12.35,-10.86,;10.86,-11.26,;10.45,-12.74,;11.77,-13.51,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,;16.12,-7.08,)|
Show InChI InChI=1S/C29H34N4O2/c1-21-18-22(2)33(32-21)17-11-10-16-29(3)19-34-28(35-20-29)27-30-25(23-12-6-4-7-13-23)26(31-27)24-14-8-5-9-15-24/h4-9,12-15,18,28H,10-11,16-17,19-20H2,1-3H3,(H,30,31)
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n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051893
PNG
(2-(5,5-Dimethyl-[1,3]dioxan-2-yl)-4,5-diphenyl-1H-...)
Show SMILES CC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H22N2O2/c1-21(2)13-24-20(25-14-21)19-22-17(15-9-5-3-6-10-15)18(23-19)16-11-7-4-8-12-16/h3-12,20H,13-14H2,1-2H3,(H,22,23)
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n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051884
PNG
(1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...)
Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051884
PNG
(1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...)
Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:choleste...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051908
PNG
(2-(4-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methy...)
Show SMILES CC1(CCCCN2CCN(CC2)c2ncccn2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;12.04,-.89,;12.42,.6,;13.91,1.02,;14.99,-.05,;14.61,-1.55,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
Show InChI InChI=1S/C32H38N6O2/c1-32(15-8-9-18-37-19-21-38(22-20-37)31-33-16-10-17-34-31)23-39-30(40-24-32)29-35-27(25-11-4-2-5-12-25)28(36-29)26-13-6-3-7-14-26/h2-7,10-14,16-17,30H,8-9,15,18-24H2,1H3,(H,35,36)
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n/an/a 75n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 79n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from cholesterol fed rabbit adrenal


Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50003846
PNG
(2-(4,5-Diphenyl-1H-imidazol-2-ylsulfanylmethyl)-6-...)
Show SMILES CO[C@@H]1C[C@@](C)(O)C[C@H](CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)O1
Show InChI InChI=1S/C23H26N2O3S/c1-23(26)13-18(28-19(14-23)27-2)15-29-22-24-20(16-9-5-3-6-10-16)21(25-22)17-11-7-4-8-12-17/h3-12,18-19,26H,13-15H2,1-2H3,(H,24,25)/t18-,19+,23+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome


J Med Chem 35: 4384-92 (1992)


BindingDB Entry DOI: 10.7270/Q218374H
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051884
PNG
(1-[5-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-pentyl...)
Show SMILES Cc1cc(C)n(CCCCCS(=O)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4OS/c1-19-18-20(2)29(28-19)16-10-5-11-17-31(30)25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 85n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051886
PNG
(CHEMBL289465 | [2-(4,5-Diphenyl-1H-imidazol-2-yl)-...)
Show SMILES CC1(CO)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.45,-11.21,;10.45,-12.74,;11.94,-13.14,;12.33,-14.62,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,)|
Show InChI InChI=1S/C21H22N2O3/c1-21(12-24)13-25-20(26-14-21)19-22-17(15-8-4-2-5-9-15)18(23-19)16-10-6-3-7-11-16/h2-11,20,24H,12-14H2,1H3,(H,22,23)
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n/an/a 90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50051886
PNG
(CHEMBL289465 | [2-(4,5-Diphenyl-1H-imidazol-2-yl)-...)
Show SMILES CC1(CO)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.45,-11.21,;10.45,-12.74,;11.94,-13.14,;12.33,-14.62,;9.19,-13.16,;7.56,-12.54,;6.79,-13.89,;7.98,-13.47,;9.69,-14.08,;5.45,-13.12,;5.04,-11.63,;3.5,-11.56,;2.96,-12.98,;4.15,-13.96,;1.48,-13.4,;.38,-12.31,;-1.09,-12.7,;-1.49,-14.2,;-.39,-15.28,;1.08,-14.87,;2.66,-10.26,;3.36,-8.88,;2.52,-7.6,;.99,-7.69,;.29,-9.07,;1.13,-10.35,)|
Show InChI InChI=1S/C21H22N2O3/c1-21(12-24)13-25-20(26-14-21)19-22-17(15-8-4-2-5-9-15)18(23-19)16-10-6-3-7-11-16/h2-11,20,24H,12-14H2,1H3,(H,22,23)
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n/an/a 90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50051899
PNG
(1-Benzyl-4-{4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5...)
Show SMILES CC1(CCCCN2CCN(Cc3ccccc3)CC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;10.79,-5.32,;11.21,-3.83,;12.7,-3.44,;13.12,-1.96,;14.61,-1.57,;15.01,-.1,;16.5,.3,;17.58,-.82,;17.17,-2.29,;15.68,-2.68,;13.77,-4.55,;13.35,-6.03,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
Show InChI InChI=1S/C35H42N4O2/c1-35(19-11-12-20-38-21-23-39(24-22-38)25-28-13-5-2-6-14-28)26-40-34(41-27-35)33-36-31(29-15-7-3-8-16-29)32(37-33)30-17-9-4-10-18-30/h2-10,13-18,34H,11-12,19-27H2,1H3,(H,36,37)
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n/an/a 90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50003813
PNG
(2-(4,5-Diphenyl-1H-imidazol-2-ylsulfanylmethyl)-6-...)
Show SMILES CO[C@H]1C[C@H](O)C[C@@H](CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)O1
Show InChI InChI=1S/C22H24N2O3S/c1-26-19-13-17(25)12-18(27-19)14-28-22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-11,17-19,25H,12-14H2,1H3,(H,23,24)/t17-,18+,19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome


J Med Chem 35: 4384-92 (1992)


BindingDB Entry DOI: 10.7270/Q218374H
More data for this
Ligand-Target Pair
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