Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 2850   

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 2 (Homo sapiens (Human))	BDBM383178 (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 |r,w:1.2| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383178 (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 |r,w:1.2| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383183 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383177 (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 |r,w:5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383186 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383183 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383187 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383177 (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 |r,w:5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383184 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383184 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383179 (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 |r,w:1.2| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383179 (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 |r,w:1.2| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383176 (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 |r,w:5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383176 (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 |r,w:5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383175 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383182 (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 |r,w:5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383185 (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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	433	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM383176 (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 |r,w:5.4| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	831	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM383178 (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 |r,w:1.2| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM383183 (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 |r| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM383177 (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 |r,w:5.4| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM383184 (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 |r| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM383176 (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 |r,w:5.4| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM383179 (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 |r,w:1.2| 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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					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...				J Med Chem 51: 5594-607 (2008) BindingDB Entry DOI: 10.7270/Q2CF9SF8
					More data for this Ligand-Target Pair