Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50042918 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)) | BDBM50433214
(CHEMBL2375701)Show SMILES CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC |r| Show InChI InChI=1S/C39H42N2O10/c1-6-30(42)47-21-38(4)27-18-29(50-35(45)23-12-10-22(19-40)11-13-23)39(5)34(37(27,3)15-14-28(38)49-31(43)7-2)33(44)32-26(51-39)17-25(48-36(32)46)24-9-8-16-41-20-24/h8-13,16-17,20,27-29,33-34,44H,6-7,14-15,18,21H2,1-5H3/t27-,28+,29+,33+,34-,37+,38+,39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433213
(CHEMBL2375702)Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C |r| Show InChI InChI=1S/C41H46N2O10/c1-22(2)35(45)49-21-40(6)29-18-31(52-37(47)25-12-10-24(19-42)11-13-25)41(7)34(39(29,5)15-14-30(40)51-36(46)23(3)4)33(44)32-28(53-41)17-27(50-38(32)48)26-9-8-16-43-20-26/h8-13,16-17,20,22-23,29-31,33-34,44H,14-15,18,21H2,1-7H3/t29-,30+,31+,33+,34-,39+,40+,41-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433206
(CHEMBL2375707)Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C42H40N2O10/c1-24(45)50-23-41(3)31-20-33(53-38(48)27-14-12-25(21-43)13-15-27)42(4)36(40(31,2)17-16-32(41)52-37(47)26-9-6-5-7-10-26)35(46)34-30(54-42)19-29(51-39(34)49)28-11-8-18-44-22-28/h5-15,18-19,22,31-33,35-36,46H,16-17,20,23H2,1-4H3/t31-,32+,33+,35+,36-,40+,41+,42-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433212
(CHEMBL2375705)Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)48-28-13-14-36(3)27(37(28,4)20-46-21(2)41)17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36)32(43)31-26(50-38)16-25(47-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433211
(CHEMBL2375603)Show SMILES CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)46-20-37(4)27-17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36(27,3)14-13-28(37)47-21(2)41)32(43)31-26(50-38)16-25(48-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433210
(CHEMBL2375706)Show SMILES CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C39H42N2O10/c1-21(2)34(44)49-29-13-14-37(4)28(38(29,5)20-47-22(3)42)17-30(50-35(45)24-11-9-23(18-40)10-12-24)39(6)33(37)32(43)31-27(51-39)16-26(48-36(31)46)25-8-7-15-41-19-25/h7-12,15-16,19,21,28-30,32-33,43H,13-14,17,20H2,1-6H3/t28-,29+,30+,32+,33-,37+,38+,39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433209
(CHEMBL2375604)Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C39H42N2O10/c1-21(2)34(44)47-20-38(5)28-17-30(50-35(45)24-11-9-23(18-40)10-12-24)39(6)33(37(28,4)14-13-29(38)48-22(3)42)32(43)31-27(51-39)16-26(49-36(31)46)25-8-7-15-41-19-25/h7-12,15-16,19,21,28-30,32-33,43H,13-14,17,20H2,1-6H3/t28-,29+,30+,32+,33-,37+,38+,39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433208
(CHEMBL2375697)Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C33H41NO10/c1-17(2)29(38)40-16-32(6)23-14-25(42-19(4)36)33(7)28(31(23,5)11-10-24(32)41-18(3)35)27(37)26-22(44-33)13-21(43-30(26)39)20-9-8-12-34-15-20/h8-9,12-13,15,17,23-25,27-28,37H,10-11,14,16H2,1-7H3/t23-,24+,25+,27+,28-,31+,32+,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433207
(CHEMBL2375602)Show SMILES COc1ccc(CNC(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)OC(C)=O)c(OC)c1 |r| Show InChI InChI=1S/C44H45N3O11/c1-24(48)55-34-15-16-42(2)33(43(34,3)41(52)47-23-28-13-14-29(53-5)18-30(28)54-6)20-35(57-39(50)26-11-9-25(21-45)10-12-26)44(4)38(42)37(49)36-32(58-44)19-31(56-40(36)51)27-8-7-17-46-22-27/h7-14,17-19,22,33-35,37-38,49H,15-16,20,23H2,1-6H3,(H,47,52)/t33-,34+,35+,37+,38-,42+,43+,44-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433206
(CHEMBL2375707)Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C42H40N2O10/c1-24(45)50-23-41(3)31-20-33(53-38(48)27-14-12-25(21-43)13-15-27)42(4)36(40(31,2)17-16-32(41)52-37(47)26-9-6-5-7-10-26)35(46)34-30(54-42)19-29(51-39(34)49)28-11-8-18-44-22-28/h5-15,18-19,22,31-33,35-36,46H,16-17,20,23H2,1-4H3/t31-,32+,33+,35+,36-,40+,41+,42-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433205
(CHEMBL2375695)Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C36H39NO10/c1-20(38)43-19-35(4)26-17-28(44-21(2)39)36(5)31(34(26,3)14-13-27(35)46-32(41)22-10-7-6-8-11-22)30(40)29-25(47-36)16-24(45-33(29)42)23-12-9-15-37-18-23/h6-12,15-16,18,26-28,30-31,40H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433204
(CHEMBL2375692)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r| Show InChI InChI=1S/C42H40N2O10/c1-24(45)51-32-16-17-40(2)31(41(32,3)23-50-37(47)26-9-6-5-7-10-26)20-33(53-38(48)27-14-12-25(21-43)13-15-27)42(4)36(40)35(46)34-30(54-42)19-29(52-39(34)49)28-11-8-18-44-22-28/h5-15,18-19,22,31-33,35-36,46H,16-17,20,23H2,1-4H3/t31-,32+,33+,35+,36-,40+,41+,42-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 619 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433203
(CHEMBL2375700)Show SMILES COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C36H36N2O10/c1-19(39)45-26-12-13-34(2)25(35(26,3)33(43)44-5)16-27(47-31(41)21-10-8-20(17-37)9-11-21)36(4)30(34)29(40)28-24(48-36)15-23(46-32(28)42)22-7-6-14-38-18-22/h6-11,14-15,18,25-27,29-30,40H,12-13,16H2,1-5H3/t25-,26+,27+,29+,30-,34+,35+,36-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433202
(CHEMBL2375703)Show SMILES CCCCCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CCCCC |r| Show InChI InChI=1S/C45H54N2O10/c1-6-8-10-14-36(48)53-27-44(4)33-24-35(56-41(51)29-18-16-28(25-46)17-19-29)45(5)40(43(33,3)21-20-34(44)55-37(49)15-11-9-7-2)39(50)38-32(57-45)23-31(54-42(38)52)30-13-12-22-47-26-30/h12-13,16-19,22-23,26,33-35,39-40,50H,6-11,14-15,20-21,24,27H2,1-5H3/t33-,34+,35+,39+,40-,43+,44+,45-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433201
(CHEMBL2375704)Show SMILES C[C@@]1(COC(=O)c2ccccc2)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C47H42N2O10/c1-45-21-20-36(57-42(52)30-13-8-5-9-14-30)46(2,27-55-41(51)29-11-6-4-7-12-29)35(45)24-37(58-43(53)31-18-16-28(25-48)17-19-31)47(3)40(45)39(50)38-34(59-47)23-33(56-44(38)54)32-15-10-22-49-26-32/h4-19,22-23,26,35-37,39-40,50H,20-21,24,27H2,1-3H3/t35-,36+,37+,39+,40-,45+,46+,47-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433219
(CHEMBL2375696)Show SMILES CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C32H39NO10/c1-7-25(36)39-16-31(5)22-14-24(41-18(3)35)32(6)28(30(22,4)11-10-23(31)40-17(2)34)27(37)26-21(43-32)13-20(42-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3/t22-,23+,24+,27+,28-,30+,31+,32-/m1/s1 | PDB
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| Article
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| n/a | n/a | 772 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433218
(CHEMBL2375698)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r| Show InChI InChI=1S/C36H39NO10/c1-20(38)44-27-13-14-34(3)26(35(27,4)19-43-32(41)22-10-7-6-8-11-22)17-28(45-21(2)39)36(5)31(34)30(40)29-25(47-36)16-24(46-33(29)42)23-12-9-15-37-18-23/h6-12,15-16,18,26-28,30-31,40H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433217
(CHEMBL2375693)Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C32H39NO10/c1-7-25(36)42-23-10-11-30(4)22(31(23,5)16-39-17(2)34)14-24(40-18(3)35)32(6)28(30)27(37)26-21(43-32)13-20(41-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3/t22-,23+,24+,27+,28-,30+,31+,32-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 897 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433204
(CHEMBL2375692)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r| Show InChI InChI=1S/C42H40N2O10/c1-24(45)51-32-16-17-40(2)31(41(32,3)23-50-37(47)26-9-6-5-7-10-26)20-33(53-38(48)27-14-12-25(21-43)13-15-27)42(4)36(40)35(46)34-30(54-42)19-29(52-39(34)49)28-11-8-18-44-22-28/h5-15,18-19,22,31-33,35-36,46H,16-17,20,23H2,1-4H3/t31-,32+,33+,35+,36-,40+,41+,42-/m1/s1 | PDB
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| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433216
(CHEMBL2375599)Show SMILES CCCNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C38H41N3O9/c1-6-15-41-35(46)37(4)27-18-29(49-33(44)23-11-9-22(19-39)10-12-23)38(5)32(36(27,3)14-13-28(37)47-21(2)42)31(43)30-26(50-38)17-25(48-34(30)45)24-8-7-16-40-20-24/h7-12,16-17,20,27-29,31-32,43H,6,13-15,18H2,1-5H3,(H,41,46)/t27-,28+,29+,31+,32-,36+,37+,38-/m1/s1 | PDB
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| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433215
(CHEMBL2375694)Show SMILES CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C33H41NO10/c1-17(2)29(38)43-24-10-11-31(5)23(32(24,6)16-40-18(3)35)14-25(41-19(4)36)33(7)28(31)27(37)26-22(44-33)13-21(42-30(26)39)20-9-8-12-34-15-20/h8-9,12-13,15,17,23-25,27-28,37H,10-11,14,16H2,1-7H3/t23-,24+,25+,27+,28-,31+,32+,33-/m1/s1 | PDB
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Similars
| Article
PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433210
(CHEMBL2375706)Show SMILES CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C39H42N2O10/c1-21(2)34(44)49-29-13-14-37(4)28(38(29,5)20-47-22(3)42)17-30(50-35(45)24-11-9-23(18-40)10-12-24)39(6)33(37)32(43)31-27(51-39)16-26(48-36(31)46)25-8-7-15-41-19-25/h7-12,15-16,19,21,28-30,32-33,43H,13-14,17,20H2,1-6H3/t28-,29+,30+,32+,33-,37+,38+,39-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433212
(CHEMBL2375705)Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)48-28-13-14-36(3)27(37(28,4)20-46-21(2)41)17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36)32(43)31-26(50-38)16-25(47-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433214
(CHEMBL2375701)Show SMILES CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC |r| Show InChI InChI=1S/C39H42N2O10/c1-6-30(42)47-21-38(4)27-18-29(50-35(45)23-12-10-22(19-40)11-13-23)39(5)34(37(27,3)15-14-28(38)49-31(43)7-2)33(44)32-26(51-39)17-25(48-36(32)46)24-9-8-16-41-20-24/h8-13,16-17,20,27-29,33-34,44H,6-7,14-15,18,21H2,1-5H3/t27-,28+,29+,33+,34-,37+,38+,39-/m1/s1 | PDB
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| n/a | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433205
(CHEMBL2375695)Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C36H39NO10/c1-20(38)43-19-35(4)26-17-28(44-21(2)39)36(5)31(34(26,3)14-13-27(35)46-32(41)22-10-7-6-8-11-22)30(40)29-25(47-36)16-24(45-33(29)42)23-12-9-15-37-18-23/h6-12,15-16,18,26-28,30-31,40H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1 | PDB
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| n/a | n/a | 2.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433222
(CHEMBL2375601)Show SMILES CCOC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C39H41N3O11/c1-6-49-30(44)20-42-36(48)38(4)27-17-29(52-34(46)23-11-9-22(18-40)10-12-23)39(5)33(37(27,3)14-13-28(38)50-21(2)43)32(45)31-26(53-39)16-25(51-35(31)47)24-8-7-15-41-19-24/h7-12,15-16,19,27-29,32-33,45H,6,13-14,17,20H2,1-5H3,(H,42,48)/t27-,28+,29+,32+,33-,37+,38+,39-/m1/s1 | PDB
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| n/a | n/a | 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433221
(CHEMBL2375600)Show SMILES COC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C38H39N3O11/c1-20(42)49-27-12-13-36(2)26(37(27,3)35(47)41-19-29(43)48-5)16-28(51-33(45)22-10-8-21(17-39)9-11-22)38(4)32(36)31(44)30-25(52-38)15-24(50-34(30)46)23-7-6-14-40-18-23/h6-11,14-15,18,26-28,31-32,44H,12-13,16,19H2,1-5H3,(H,41,47)/t26-,27+,28+,31+,32-,36+,37+,38-/m1/s1 | PDB
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| n/a | n/a | 3.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433216
(CHEMBL2375599)Show SMILES CCCNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C38H41N3O9/c1-6-15-41-35(46)37(4)27-18-29(49-33(44)23-11-9-22(19-39)10-12-23)38(5)32(36(27,3)14-13-28(37)47-21(2)42)31(43)30-26(50-38)17-25(48-34(30)45)24-8-7-16-40-20-24/h7-12,16-17,20,27-29,31-32,43H,6,13-15,18H2,1-5H3,(H,41,46)/t27-,28+,29+,31+,32-,36+,37+,38-/m1/s1 | PDB
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| n/a | n/a | 3.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433218
(CHEMBL2375698)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r| Show InChI InChI=1S/C36H39NO10/c1-20(38)44-27-13-14-34(3)26(35(27,4)19-43-32(41)22-10-7-6-8-11-22)17-28(45-21(2)39)36(5)31(34)30(40)29-25(47-36)16-24(46-33(29)42)23-12-9-15-37-18-23/h6-12,15-16,18,26-28,30-31,40H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1 | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433213
(CHEMBL2375702)Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C |r| Show InChI InChI=1S/C41H46N2O10/c1-22(2)35(45)49-21-40(6)29-18-31(52-37(47)25-12-10-24(19-42)11-13-25)41(7)34(39(29,5)15-14-30(40)51-36(46)23(3)4)33(44)32-28(53-41)17-27(50-38(32)48)26-9-8-16-43-20-26/h8-13,16-17,20,22-23,29-31,33-34,44H,14-15,18,21H2,1-7H3/t29-,30+,31+,33+,34-,39+,40+,41-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433211
(CHEMBL2375603)Show SMILES CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)46-20-37(4)27-17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36(27,3)14-13-28(37)47-21(2)41)32(43)31-26(50-38)16-25(48-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 6.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433209
(CHEMBL2375604)Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C39H42N2O10/c1-21(2)34(44)47-20-38(5)28-17-30(50-35(45)24-11-9-23(18-40)10-12-24)39(6)33(37(28,4)14-13-29(38)48-22(3)42)32(43)31-27(51-39)16-26(49-36(31)46)25-8-7-15-41-19-25/h7-12,15-16,19,21,28-30,32-33,43H,13-14,17,20H2,1-6H3/t28-,29+,30+,32+,33-,37+,38+,39-/m1/s1 | PDB
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| n/a | n/a | 9.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433215
(CHEMBL2375694)Show SMILES CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C33H41NO10/c1-17(2)29(38)43-24-10-11-31(5)23(32(24,6)16-40-18(3)35)14-25(41-19(4)36)33(7)28(31)27(37)26-22(44-33)13-21(42-30(26)39)20-9-8-12-34-15-20/h8-9,12-13,15,17,23-25,27-28,37H,10-11,14,16H2,1-7H3/t23-,24+,25+,27+,28-,31+,32+,33-/m1/s1 | PDB
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| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433222
(CHEMBL2375601)Show SMILES CCOC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C39H41N3O11/c1-6-49-30(44)20-42-36(48)38(4)27-17-29(52-34(46)23-11-9-22(18-40)10-12-23)39(5)33(37(27,3)14-13-28(38)50-21(2)43)32(45)31-26(53-39)16-25(51-35(31)47)24-8-7-15-41-19-24/h7-12,15-16,19,27-29,32-33,45H,6,13-14,17,20H2,1-5H3,(H,42,48)/t27-,28+,29+,32+,33-,37+,38+,39-/m1/s1 | PDB
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| n/a | n/a | >1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433221
(CHEMBL2375600)Show SMILES COC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C38H39N3O11/c1-20(42)49-27-12-13-36(2)26(37(27,3)35(47)41-19-29(43)48-5)16-28(51-33(45)22-10-8-21(17-39)9-11-22)38(4)32(36)31(44)30-25(52-38)15-24(50-34(30)46)23-7-6-14-40-18-23/h6-11,14-15,18,26-28,31-32,44H,12-13,16,19H2,1-5H3,(H,41,47)/t26-,27+,28+,31+,32-,36+,37+,38-/m1/s1 | PDB
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| n/a | n/a | >1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433203
(CHEMBL2375700)Show SMILES COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C36H36N2O10/c1-19(39)45-26-12-13-34(2)25(35(26,3)33(43)44-5)16-27(47-31(41)21-10-8-20(17-37)9-11-21)36(4)30(34)29(40)28-24(48-36)15-23(46-32(28)42)22-7-6-14-38-18-22/h6-11,14-15,18,25-27,29-30,40H,12-13,16H2,1-5H3/t25-,26+,27+,29+,30-,34+,35+,36-/m1/s1 | PDB
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| n/a | n/a | >1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 2
(Homo sapiens (Human)) | BDBM50433220
(CHEMBL2375699)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)C(O)=O |r| Show InChI InChI=1S/C35H34N2O10/c1-18(38)44-25-11-12-33(2)24(34(25,3)32(42)43)15-26(46-30(40)20-9-7-19(16-36)8-10-20)35(4)29(33)28(39)27-23(47-35)14-22(45-31(27)41)21-6-5-13-37-17-21/h5-10,13-14,17,24-26,28-29,39H,11-12,15H2,1-4H3,(H,42,43)/t24-,25+,26+,28+,29-,33+,34+,35-/m1/s1 | PDB
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| n/a | n/a | >1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT2 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433220
(CHEMBL2375699)Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)C(O)=O |r| Show InChI InChI=1S/C35H34N2O10/c1-18(38)44-25-11-12-33(2)24(34(25,3)32(42)43)15-26(46-30(40)20-9-7-19(16-36)8-10-20)35(4)29(33)28(39)27-23(47-35)14-22(45-31(27)41)21-6-5-13-37-17-21/h5-10,13-14,17,24-26,28-29,39H,11-12,15H2,1-4H3,(H,42,43)/t24-,25+,26+,28+,29-,33+,34+,35-/m1/s1 | PDB
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PubMed
| n/a | n/a | >1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433217
(CHEMBL2375693)Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r| Show InChI InChI=1S/C32H39NO10/c1-7-25(36)42-23-10-11-30(4)22(31(23,5)16-39-17(2)34)14-24(40-18(3)35)32(6)28(30)27(37)26-21(43-32)13-20(41-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3/t22-,23+,24+,27+,28-,30+,31+,32-/m1/s1 | PDB
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| n/a | n/a | 2.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433208
(CHEMBL2375697)Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C33H41NO10/c1-17(2)29(38)40-16-32(6)23-14-25(42-19(4)36)33(7)28(31(23,5)11-10-24(32)41-18(3)35)27(37)26-22(44-33)13-21(43-30(26)39)20-9-8-12-34-15-20/h8-9,12-13,15,17,23-25,27-28,37H,10-11,14,16H2,1-7H3/t23-,24+,25+,27+,28-,31+,32+,33-/m1/s1 | PDB
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| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433219
(CHEMBL2375696)Show SMILES CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C32H39NO10/c1-7-25(36)39-16-31(5)22-14-24(41-18(3)35)32(6)28(30(22,4)11-10-23(31)40-17(2)34)27(37)26-21(43-32)13-20(42-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3/t22-,23+,24+,27+,28-,30+,31+,32-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433201
(CHEMBL2375704)Show SMILES C[C@@]1(COC(=O)c2ccccc2)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C47H42N2O10/c1-45-21-20-36(57-42(52)30-13-8-5-9-14-30)46(2,27-55-41(51)29-11-6-4-7-12-29)35(45)24-37(58-43(53)31-18-16-28(25-48)17-19-31)47(3)40(45)39(50)38-34(59-47)23-33(56-44(38)54)32-15-10-22-49-26-32/h4-19,22-23,26,35-37,39-40,50H,20-21,24,27H2,1-3H3/t35-,36+,37+,39+,40-,45+,46+,47-/m1/s1 | PDB
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| n/a | n/a | >6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433202
(CHEMBL2375703)Show SMILES CCCCCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CCCCC |r| Show InChI InChI=1S/C45H54N2O10/c1-6-8-10-14-36(48)53-27-44(4)33-24-35(56-41(51)29-18-16-28(25-46)17-19-29)45(5)40(43(33,3)21-20-34(44)55-37(49)15-11-9-7-2)39(50)38-32(57-45)23-31(54-42(38)52)30-13-12-22-47-26-30/h12-13,16-19,22-23,26,33-35,39-40,50H,6-11,14-15,20-21,24,27H2,1-5H3/t33-,34+,35+,39+,40-,43+,44+,45-/m1/s1 | PDB
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| n/a | n/a | >6.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50433207
(CHEMBL2375602)Show SMILES COc1ccc(CNC(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)OC(C)=O)c(OC)c1 |r| Show InChI InChI=1S/C44H45N3O11/c1-24(48)55-34-15-16-42(2)33(43(34,3)41(52)47-23-28-13-14-29(53-5)18-30(28)54-6)20-35(57-39(50)26-11-9-25(21-45)10-12-26)44(4)38(42)37(49)36-32(58-44)19-31(56-40(36)51)27-8-7-17-46-22-27/h7-14,17-19,22,33-35,37-38,49H,15-16,20,23H2,1-6H3,(H,47,52)/t33-,34+,35+,37+,38-,42+,43+,44-/m1/s1 | PDB
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| n/a | n/a | >1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Inhibition of ACAT1 (unknown origin) |
Bioorg Med Chem Lett 23: 2659-62 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3 |
More data for this
Ligand-Target Pair | |
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