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121 similar compounds to monomer 50429575

Wt: 583.6
BDBM50089627
Wt: 597.6
BDBM50285847
Wt: 640.7
BDBM50285848
Wt: 597.6
BDBM50285851
Wt: 598.6
BDBM50285852
Wt: 597.6
BDBM50285853
Wt: 625.7
BDBM50285855
Wt: 583.6
BDBM50285856
Wt: 583.6
BDBM50285857
Wt: 556.6
BDBM50285859
Wt: 631.7
BDBM50285861
Wt: 640.7
BDBM50285863
Wt: 539.6
BDBM50285864
Wt: 682.7
BDBM50285865
Wt: 499.5
BDBM50285866
Displayed 1 to 15 (of 121 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50089627,50285847,50285848,50285851,50285852,50285853,50285855,50285856,50285857,50285859,50285861,50285863,50285864,50285865,50285866   
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 Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50089627
PNG
(12-hydroxy-4,6a,12b-trimethyl-3,6-di(methylcarbony...)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22?,23-,24-,26-,27?,29-,30-,31+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against acyl-CoA:cholesterol acyltransferase (ACAT)


Citation and Details
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50089627
PNG
(12-hydroxy-4,6a,12b-trimethyl-3,6-di(methylcarbony...)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22?,23-,24-,26-,27?,29-,30-,31+/m0/s1
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n/an/a 89n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285848
PNG
(12-hydroxy-4,6a,12b-trimethyl-6-methylcarbonyloxy-...)
Show SMILES CCCC(N)C(=O)O[C@H]1CC[C@@]2(C)C(C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)C23)-c2cccnc2)C1(C)COC(C)=O
Show InChI InChI=1S/C34H44N2O10/c1-7-9-21(35)30(40)45-25-11-12-32(4)24(33(25,5)17-42-18(2)37)15-26(43-19(3)38)34(6)29(32)28(39)27-23(46-34)14-22(44-31(27)41)20-10-8-13-36-16-20/h8,10,13-14,16,21,24-26,28-29,39H,7,9,11-12,15,17,35H2,1-6H3/t21?,24?,25-,26-,28-,29?,32-,33?,34+/m0/s1
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285851
PNG
(12-hydroxy-4-isobutoxymethyl-4,6a,12b-trimethyl-3-...)
Show SMILES CC(C)COCC1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C33H43NO9/c1-18(2)16-39-17-32(6)24-14-26(41-20(4)36)33(7)29(31(24,5)11-10-25(32)40-19(3)35)28(37)27-23(43-33)13-22(42-30(27)38)21-9-8-12-34-15-21/h8-9,12-13,15,18,24-26,28-29,37H,10-11,14,16-17H2,1-7H3/t24?,25-,26-,28-,29?,31-,32?,33+/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285852
PNG
(Acetic acid (3S,4S,6S,6aS,12R,12bS)-3-acetoxy-4-ac...)
Show SMILES CC(=O)OCC1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1ccc[n+](C)c1)OC(C)=O
Show InChI InChI=1S/C32H40NO10/c1-17(34)39-16-31(5)23-14-25(41-19(3)36)32(6)28(30(23,4)11-10-24(31)40-18(2)35)27(37)26-22(43-32)13-21(42-29(26)38)20-9-8-12-33(7)15-20/h8-9,12-13,15,23-25,27-28,37H,10-11,14,16H2,1-7H3/q+1/t23?,24-,25-,27-,28?,30-,31?,32+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285853
PNG
(6-butoxy-12-hydroxy-4,6a,12b-trimethyl-4-methylcar...)
Show SMILES CCCCO[C@H]1CC2C(C)(COC(C)=O)[C@H](CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C33H43NO9/c1-7-8-14-39-26-16-24-31(4,12-11-25(41-20(3)36)32(24,5)18-40-19(2)35)29-28(37)27-23(43-33(26,29)6)15-22(42-30(27)38)21-10-9-13-34-17-21/h9-10,13,15,17,24-26,28-29,37H,7-8,11-12,14,16,18H2,1-6H3/t24?,25-,26-,28-,29?,31-,32?,33+/m0/s1
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285855
PNG
(4,6a,12b-trimethyl-3,6-di(methylcarbonyloxy)-11-ox...)
Show SMILES CCCO[C@@H]1C2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(COC(C)=O)C3C[C@H](OC(C)=O)[C@@]2(C)Oc2cc(oc(=O)c12)-c1cccnc1
Show InChI InChI=1S/C34H43NO10/c1-8-14-40-29-28-24(15-23(44-31(28)39)22-10-9-13-35-17-22)45-34(7)27(43-21(4)38)16-25-32(5,30(29)34)12-11-26(42-20(3)37)33(25,6)18-41-19(2)36/h9-10,13,15,17,25-27,29-30H,8,11-12,14,16,18H2,1-7H3/t25?,26-,27-,29-,30?,32-,33?,34+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285856
PNG
(12-hydroxy-4,6a,12b-trimethyl-3-methylcarbonyloxy-...)
Show SMILES CCCOCC1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C32H41NO9/c1-7-13-38-17-31(5)23-15-25(40-19(3)35)32(6)28(30(23,4)11-10-24(31)39-18(2)34)27(36)26-22(42-32)14-21(41-29(26)37)20-9-8-12-33-16-20/h8-9,12,14,16,23-25,27-28,36H,7,10-11,13,15,17H2,1-6H3/t23?,24-,25-,27-,28?,30-,31?,32+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285857
PNG
(12-hydroxy-4,6a,12b-trimethyl-4-methylcarbonyloxym...)
Show SMILES CCCO[C@H]1CC2C(C)(COC(C)=O)[C@H](CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C32H41NO9/c1-7-13-38-25-15-23-30(4,11-10-24(40-19(3)35)31(23,5)17-39-18(2)34)28-27(36)26-22(42-32(25,28)6)14-21(41-29(26)37)20-9-8-12-33-16-20/h8-9,12,14,16,23-25,27-28,36H,7,10-11,13,15,17H2,1-6H3/t23?,24-,25-,27-,28?,30-,31?,32+/m0/s1
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285859
PNG
(3,12-dihydroxy-4-hydroxymethyl-4,6a,12b-trimethyl-...)
Show SMILES CCCC(N)C(=O)O[C@H]1CC2C(C)(CO)[C@@H](O)CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1
Show InChI InChI=1S/C30H40N2O8/c1-5-7-17(31)26(36)39-22-13-20-28(2,10-9-21(34)29(20,3)15-33)25-24(35)23-19(40-30(22,25)4)12-18(38-27(23)37)16-8-6-11-32-14-16/h6,8,11-12,14,17,20-22,24-25,33-35H,5,7,9-10,13,15,31H2,1-4H3/t17?,20?,21-,22-,24-,25?,28-,29?,30+/m0/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285861
PNG
(Acetic acid (3S,4S,6S,6aS,12R,12bS)-4-acetoxymethy...)
Show SMILES CC(=O)OCC1(C)[C@H](CC[C@@]2(C)C1C[C@H](OCc1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C36H41NO9/c1-21(38)43-20-35(4)27-17-29(42-19-23-10-7-6-8-11-23)36(5)32(34(27,3)14-13-28(35)44-22(2)39)31(40)30-26(46-36)16-25(45-33(30)41)24-12-9-15-37-18-24/h6-12,15-16,18,27-29,31-32,40H,13-14,17,19-20H2,1-5H3/t27?,28-,29-,31-,32?,34-,35?,36+/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285863
PNG
(12-hydroxy-4,6a,12b-trimethyl-3,6-di(methylcarbony...)
Show SMILES CCCC(N)C(=O)OCC1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C34H44N2O10/c1-7-9-21(35)30(40)42-17-33(5)24-15-26(44-19(3)38)34(6)29(32(24,4)12-11-25(33)43-18(2)37)28(39)27-23(46-34)14-22(45-31(27)41)20-10-8-13-36-16-20/h8,10,13-14,16,21,24-26,28-29,39H,7,9,11-12,15,17,35H2,1-6H3/t21?,24?,25-,26-,28-,29?,32-,33?,34+/m0/s1
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n/an/a>8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285864
PNG
(Acetic acid (4aS,6S,6aS,12R,12bS,14aS)-12-hydroxy-...)
Show SMILES CC(=O)O[C@H]1CC2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1
Show InChI InChI=1S/C30H37NO8/c1-16(32)36-22-13-20-28(4,10-9-21-29(20,5)15-35-27(2,3)39-21)25-24(33)23-19(38-30(22,25)6)12-18(37-26(23)34)17-8-7-11-31-14-17/h7-8,11-12,14,20-22,24-25,33H,9-10,13,15H2,1-6H3/t20?,21-,22-,24-,25?,28-,29-,30+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285865
PNG
(4,6a,12b-trimethyl-3,6-di(methylcarbonyloxy)-4-met...)
Show SMILES CCCC(N)C(=O)O[C@@H]1C2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(COC(C)=O)C3C[C@H](OC(C)=O)[C@@]2(C)Oc2cc(oc(=O)c12)-c1cccnc1
Show InChI InChI=1S/C36H46N2O11/c1-8-10-23(37)32(42)48-30-29-25(15-24(47-33(29)43)22-11-9-14-38-17-22)49-36(7)28(46-21(4)41)16-26-34(5,31(30)36)13-12-27(45-20(3)40)35(26,6)18-44-19(2)39/h9,11,14-15,17,23,26-28,30-31H,8,10,12-13,16,18,37H2,1-7H3/t23?,26?,27-,28-,30-,31?,34-,35?,36+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285866
PNG
(Acetic acid (3S,4S,6S,6aS,12R,12bS)-3,12-dihydroxy...)
Show SMILES CC(=O)O[C@H]1CC2C(C)(CO)[C@@H](O)CC[C@]2(C)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1
Show InChI InChI=1S/C27H33NO8/c1-14(30)34-20-11-18-25(2,8-7-19(31)26(18,3)13-29)23-22(32)21-17(36-27(20,23)4)10-16(35-24(21)33)15-6-5-9-28-12-15/h5-6,9-10,12,18-20,22-23,29,31-32H,7-8,11,13H2,1-4H3/t18?,19-,20-,22-,23?,25-,26?,27+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50285847
PNG
(4-butoxymethyl-12-hydroxy-4,6a,12b-trimethyl-3-met...)
Show SMILES CCCCOCC1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Show InChI InChI=1S/C33H43NO9/c1-7-8-14-39-18-32(5)24-16-26(41-20(3)36)33(6)29(31(24,4)12-11-25(32)40-19(2)35)28(37)27-23(43-33)15-22(42-30(27)38)21-10-9-13-34-17-21/h9-10,13,15,17,24-26,28-29,37H,7-8,11-12,14,16,18H2,1-6H3/t24?,25-,26-,28-,29?,31-,32?,33+/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)


Bioorg Med Chem Lett 5: 2683-2688 (1995)

More data for this
Ligand-Target Pair