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Patent code US10278962

Compile Data Set for Download or QSAR
Found 24 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 2


(Homo sapiens (Human))
BDBM383178
PNG
(US10278962, Compound 13)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C37H29N3O9/c1-36(45,20-46-33(42)23-9-5-21(17-38)6-10-23)26-14-27-32(41)31-29(16-28(47-35(31)44)25-4-3-13-40-19-25)49-37(27,2)30(15-26)48-34(43)24-11-7-22(18-39)8-12-24/h3-13,16,19,26-27,30,45H,14-15,20H2,1-2H3/t26-,27-,30-,36?,37-/m0/s1
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US Patent
n/an/a 12n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383178
PNG
(US10278962, Compound 13)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C37H29N3O9/c1-36(45,20-46-33(42)23-9-5-21(17-38)6-10-23)26-14-27-32(41)31-29(16-28(47-35(31)44)25-4-3-13-40-19-25)49-37(27,2)30(15-26)48-34(43)24-11-7-22(18-39)8-12-24/h3-13,16,19,26-27,30,45H,14-15,20H2,1-2H3/t26-,27-,30-,36?,37-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383183
PNG
(US10278962, Compound 21)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26+,27-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383177
PNG
(US10278962, Compound 8)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](OC(C)=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C35H34N2O11/c1-19(38)43-18-34(4,47-21(3)40)25-13-26-31(44-20(2)39)30-28(15-27(45-33(30)42)24-7-6-12-37-17-24)48-35(26,5)29(14-25)46-32(41)23-10-8-22(16-36)9-11-23/h6-12,15,17,25-26,29,31H,13-14,18H2,1-5H3/t25-,26-,29-,31-,34?,35-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383186
PNG
(US10278962, Compound 27)
Show SMILES CC(=O)OC[C@](C)(O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@H]2C1)-c1cccnc1
Show InChI InChI=1S/C23H27NO8/c1-12(25)30-11-22(2,29)14-7-15-20(27)19-17(32-23(15,3)18(26)8-14)9-16(31-21(19)28)13-5-4-6-24-10-13/h4-6,9-10,14-15,18,20,26-27,29H,7-8,11H2,1-3H3/t14-,15-,18-,20+,22+,23-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383183
PNG
(US10278962, Compound 21)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26+,27-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383187
PNG
(US10278962, Compound 29)
Show SMILES CC(=O)OC[C@](C)(O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1
Show InChI InChI=1S/C23H27NO8/c1-12(25)30-11-22(2,29)14-7-15-20(27)19-17(32-23(15,3)18(26)8-14)9-16(31-21(19)28)13-5-4-6-24-10-13/h4-6,9-10,14-15,18,20,26-27,29H,7-8,11H2,1-3H3/t14-,15-,18-,20-,22+,23-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383184
PNG
(US10278962, Compound 22)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19+,22-,24+,26+,27-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383177
PNG
(US10278962, Compound 8)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](OC(C)=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C35H34N2O11/c1-19(38)43-18-34(4,47-21(3)40)25-13-26-31(44-20(2)39)30-28(15-27(45-33(30)42)24-7-6-12-37-17-24)48-35(26,5)29(14-25)46-32(41)23-10-8-22(16-36)9-11-23/h6-12,15,17,25-26,29,31H,13-14,18H2,1-5H3/t25-,26-,29-,31-,34?,35-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383184
PNG
(US10278962, Compound 22)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19+,22-,24+,26+,27-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383179
PNG
(US10278962, Compound 14)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](O)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C29H26N2O8/c1-28(36,15-37-26(34)17-7-5-16(13-30)6-8-17)19-10-20-25(33)24-22(39-29(20,2)23(32)11-19)12-21(38-27(24)35)18-4-3-9-31-14-18/h3-9,12,14,19-20,23,32,36H,10-11,15H2,1-2H3/t19-,20-,23-,28?,29-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383179
PNG
(US10278962, Compound 14)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](O)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C29H26N2O8/c1-28(36,15-37-26(34)17-7-5-16(13-30)6-8-17)19-10-20-25(33)24-22(39-29(20,2)23(32)11-19)12-21(38-27(24)35)18-4-3-9-31-14-18/h3-9,12,14,19-20,23,32,36H,10-11,15H2,1-2H3/t19-,20-,23-,28?,29-/m0/s1
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n/an/a 129n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383176
PNG
(US10278962, Compound 15 | US10278962, Compound 7)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26?,27-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383176
PNG
(US10278962, Compound 15 | US10278962, Compound 7)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26?,27-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383175
PNG
(US10278962, Pyripyropene A)
Show SMILES CC(=O)OCC1(C)C(CCC2(C)C1CC(OC(C)=O)C1(C)Oc3cc(oc(=O)c3C(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
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n/an/a 179n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383182
PNG
(US10278962, Compound 16)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24+,26?,27-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383185
PNG
(US10278962, Compound 26)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24+,26+,27-/m1/s1
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n/an/a 433n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM383176
PNG
(US10278962, Compound 15 | US10278962, Compound 7)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26?,27-/m0/s1
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n/an/a 831n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM383178
PNG
(US10278962, Compound 13)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C37H29N3O9/c1-36(45,20-46-33(42)23-9-5-21(17-38)6-10-23)26-14-27-32(41)31-29(16-28(47-35(31)44)25-4-3-13-40-19-25)49-37(27,2)30(15-26)48-34(43)24-11-7-22(18-39)8-12-24/h3-13,16,19,26-27,30,45H,14-15,20H2,1-2H3/t26-,27-,30-,36?,37-/m0/s1
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UniProtKB/SwissProt

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n/an/a 1.78E+4n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM383183
PNG
(US10278962, Compound 21)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26+,27-/m1/s1
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n/an/a 5.67E+4n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM383177
PNG
(US10278962, Compound 8)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](OC(C)=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C35H34N2O11/c1-19(38)43-18-34(4,47-21(3)40)25-13-26-31(44-20(2)39)30-28(15-27(45-33(30)42)24-7-6-12-37-17-24)48-35(26,5)29(14-25)46-32(41)23-10-8-22(16-36)9-11-23/h6-12,15,17,25-26,29,31H,13-14,18H2,1-5H3/t25-,26-,29-,31-,34?,35-/m0/s1
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n/an/a 6.47E+4n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM383184
PNG
(US10278962, Compound 22)
Show SMILES CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19+,22-,24+,26+,27-/m1/s1
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n/an/a 8.74E+4n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM383176
PNG
(US10278962, Compound 15 | US10278962, Compound 7)
Show SMILES CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26?,27-/m0/s1
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n/an/a 1.08E+5n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM383179
PNG
(US10278962, Compound 14)
Show SMILES CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](O)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1
Show InChI InChI=1S/C29H26N2O8/c1-28(36,15-37-26(34)17-7-5-16(13-30)6-8-17)19-10-20-25(33)24-22(39-29(20,2)23(32)11-19)12-21(38-27(24)35)18-4-3-9-31-14-18/h3-9,12,14,19-20,23,32,36H,10-11,15H2,1-2H3/t19-,20-,23-,28?,29-/m0/s1
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n/an/a 1.54E+5n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method i...


US Patent US10278962 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%