Found 11 hits with Last Name = 'nguyen' and Initial = 'td' 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 |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry |
Bioorg Med Chem Lett 24: 3392-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50046523
(CHEMBL495039)Show SMILES COc1cc(NCCCN)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O2/c1-13-7-10-27-19-16(26-9-4-8-25)12-17(28-2)20(18(13)19)29-15-6-3-5-14(11-15)21(22,23)24/h3,5-7,10-12,26H,4,8-9,25H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry |
Bioorg Med Chem Lett 24: 3392-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25 |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50005944
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay |
J Med Chem 55: 8969-73 (2012)
Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50397451
(CHEMBL2170736)Show SMILES CC(CNCc1ccc(O)cc1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:16| Show InChI InChI=1S/C23H27NO4/c1-14(12-24-13-16-3-7-19(25)8-4-16)17-5-6-18-10-20-22(28-21(18)11-17)9-15(2)27-23(20)26/h3-4,7-10,14,17,21,24-25H,5-6,11-13H2,1-2H3/t14?,17-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay |
J Med Chem 55: 8969-73 (2012)
Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370 |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50397448
(CHEMBL2170728)Show SMILES CC(CNCc1ccc(O)c2ccccc12)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:21| Show InChI InChI=1S/C27H29NO4/c1-16(14-28-15-20-9-10-24(29)22-6-4-3-5-21(20)22)18-7-8-19-12-23-26(32-25(19)13-18)11-17(2)31-27(23)30/h3-6,9-12,16,18,25,28-29H,7-8,13-15H2,1-2H3/t16?,18-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay |
J Med Chem 55: 8969-73 (2012)
Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370 |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50397452
(CHEMBL520938)Show SMILES CC(Cn1cnc(N)c2ncnc12)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:18| Show InChI InChI=1S/C21H23N5O3/c1-11(8-26-10-25-19(22)18-20(26)24-9-23-18)13-3-4-14-6-15-17(29-16(14)7-13)5-12(2)28-21(15)27/h5-6,9-11,13,16H,3-4,7-8,22H2,1-2H3/t11?,13-,16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay |
J Med Chem 55: 8969-73 (2012)
Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370 |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50397450
(CHEMBL2170821)Show SMILES CC(CNCc1ccc(CO)cc1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:17| Show InChI InChI=1S/C24H29NO4/c1-15(12-25-13-17-3-5-18(14-26)6-4-17)19-7-8-20-10-21-23(29-22(20)11-19)9-16(2)28-24(21)27/h3-6,9-10,15,19,22,25-26H,7-8,11-14H2,1-2H3/t15?,19-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay |
J Med Chem 55: 8969-73 (2012)
Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370 |
More data for this Ligand-Target Pair | |
Sterol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50397449
(CHEMBL2170832)Show SMILES CC(CNCc1ccc(O)c(F)c1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:17| Show InChI InChI=1S/C23H26FNO4/c1-13(11-25-12-15-3-6-20(26)19(24)8-15)16-4-5-17-9-18-22(29-21(17)10-16)7-14(2)28-23(18)27/h3,6-9,13,16,21,25-26H,4-5,10-12H2,1-2H3/t13?,16-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay |
J Med Chem 55: 8969-73 (2012)
Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50046524
(CHEMBL3311235)Show SMILES COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c1-15-10-11-29-23-20(30-14-16-6-8-18(31)9-7-16)13-21(32-2)24(22(15)23)33-19-5-3-4-17(12-19)25(26,27)28/h3-13,30-31H,14H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry |
Bioorg Med Chem Lett 24: 3392-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50046525
(CHEMBL3311239)Show SMILES COc1cc(NCc2cccc3cccnc23)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N3O2/c1-17-11-13-33-26-22(34-16-19-7-3-6-18-8-5-12-32-25(18)19)15-23(35-2)27(24(17)26)36-21-10-4-9-20(14-21)28(29,30)31/h3-15,34H,16H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry |
Bioorg Med Chem Lett 24: 3392-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50046526
(CHEMBL3311242)Show SMILES Cc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C24H19F3N2O3/c1-14-9-10-28-22-19(29-13-15-5-7-17(30)8-6-15)12-20(31)23(21(14)22)32-18-4-2-3-16(11-18)24(25,26)27/h2-12,29-31H,13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry |
Bioorg Med Chem Lett 24: 3392-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25 |
More data for this Ligand-Target Pair | |