Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50006634 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50051894
(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) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50051888
(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) | PDB
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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
(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) | PDB
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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)) | BDBM50051890
(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) | PDB
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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)) | BDBM50051904
(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) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50051908
(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) | PDB
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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)) | BDBM50051892
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)Show SMILES CC1(CCCCN2CCN(CC2)c2ccccn2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(17.65,-18.36,;16.32,-17.59,;16.29,-16.04,;14.99,-15.24,;15.03,-13.7,;13.72,-12.89,;13.75,-11.35,;12.44,-10.55,;12.49,-9.01,;13.84,-8.28,;15.17,-9.08,;15.12,-10.62,;13.91,-6.73,;12.58,-5.95,;12.61,-4.42,;13.95,-3.67,;15.27,-4.46,;15.24,-5.98,;15.05,-18.01,;13.42,-17.39,;12.65,-18.74,;13.84,-18.32,;15.55,-18.93,;11.3,-17.97,;10.9,-16.47,;9.36,-16.4,;8.8,-17.83,;10.02,-18.81,;7.33,-18.25,;6.24,-17.16,;4.74,-17.55,;4.35,-19.05,;5.46,-20.14,;6.94,-19.72,;8.52,-15.1,;9.22,-13.73,;8.38,-12.44,;6.84,-12.53,;6.14,-13.91,;6.98,-15.2,)| Show InChI InChI=1S/C33H39N5O2/c1-33(17-9-11-19-37-20-22-38(23-21-37)28-16-8-10-18-34-28)24-39-32(40-25-33)31-35-29(26-12-4-2-5-13-26)30(36-31)27-14-6-3-7-15-27/h2-8,10,12-16,18,32H,9,11,17,19-25H2,1H3,(H,35,36) | PDB
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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)) | BDBM50051907
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)Show SMILES CC1(CCCCn2ncc3ccccc23)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(12.4,-15.54,;11.64,-14.21,;12.85,-13.26,;14.28,-13.77,;15.47,-12.79,;16.9,-13.33,;18.23,-12.56,;19.65,-13.16,;20.67,-12,;19.86,-10.67,;20.33,-9.22,;19.28,-8.08,;17.8,-8.41,;17.33,-9.89,;18.37,-11.01,;10.88,-15.55,;9.17,-14.94,;7.98,-15.36,;8.75,-14.01,;10.38,-14.63,;6.63,-14.59,;6.24,-13.1,;4.7,-13.03,;4.14,-14.46,;5.35,-15.43,;2.66,-14.87,;2.27,-16.35,;.79,-16.76,;-.32,-15.68,;.08,-14.18,;1.57,-13.77,;3.85,-11.73,;4.55,-10.36,;3.71,-9.07,;2.17,-9.15,;1.48,-10.53,;2.32,-11.81,)| Show InChI InChI=1S/C31H32N4O2/c1-31(18-10-11-19-35-26-17-9-8-16-25(26)20-32-35)21-36-30(37-22-31)29-33-27(23-12-4-2-5-13-23)28(34-29)24-14-6-3-7-15-24/h2-9,12-17,20,30H,10-11,18-19,21-22H2,1H3,(H,33,34) | PDB
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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)) | BDBM50051884
(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) | PDB
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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)) | BDBM50051906
(4-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)Show SMILES CC1(CCCCN2CCOCC2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(13.18,-17.69,;11.85,-16.92,;12.61,-15.57,;11.51,-14.47,;12.27,-13.14,;11.49,-11.81,;12.26,-10.46,;11.46,-9.13,;12.23,-7.8,;13.79,-7.79,;14.56,-9.13,;13.8,-10.46,;11.09,-18.25,;9.36,-17.65,;8.19,-18.07,;8.94,-16.71,;10.58,-17.34,;6.84,-17.3,;6.44,-15.8,;4.9,-15.73,;4.35,-17.17,;5.55,-18.14,;2.85,-17.58,;2.47,-19.06,;.99,-19.47,;-.11,-18.39,;.29,-16.89,;1.77,-16.48,;4.04,-14.44,;4.74,-13.07,;3.9,-11.78,;2.36,-11.86,;1.68,-13.24,;2.52,-14.52,)| Show InChI InChI=1S/C28H35N3O3/c1-28(14-8-9-15-31-16-18-32-19-17-31)20-33-27(34-21-28)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) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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