Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'kirk' and Initial = 'be'   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042607 ((E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-isoprop...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042631 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-p...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccnc1 Show InChI InChI=1S/C24H26FN3O4/c1-15(2)24-27-22(17-4-3-10-26-14-17)23(16-5-7-18(25)8-6-16)28(24)11-9-19(29)12-20(30)13-21(31)32/h3-11,14-15,19-20,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b11-9+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042625 ((E)-(3R,5S)-7-[2,4-Bis-(4-fluoro-phenyl)-5-isoprop...) Show SMILES CC(C)c1c(nc(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)24-23(16-3-7-18(26)8-4-16)28-25(17-5-9-19(27)10-6-17)29(24)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281061 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H46O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-19,21,24-27,35-36,43H,4,6,12-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomes				Bioorg Med Chem Lett 3: 2527-2532 (1993) Article DOI: 10.1016/S0960-894X(01)80710-1 BindingDB Entry DOI: 10.7270/Q2HM58CM
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042615 ((E)-(3R,5S)-7-[4-(4-Chloro-3,5-dimethyl-phenyl)-5-...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cc(C)c(Cl)c(C)c1 Show InChI InChI=1S/C27H30ClFN2O4/c1-15(2)27-30-25(19-11-16(3)24(28)17(4)12-19)26(18-5-7-20(29)8-6-18)31(27)10-9-21(32)13-22(33)14-23(34)35/h5-12,15,21-22,32-33H,13-14H2,1-4H3,(H,34,35)/p-1/b10-9+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042614 (CHEMBL120932 | Sodium; 7-[4,5-bis-(4-fluoro-phenyl...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042620 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H29FN2O6S/c1-16(2)26-28-24(18-5-4-6-22(13-18)36(3,34)35)25(17-7-9-19(27)10-8-17)29(26)12-11-20(30)14-21(31)15-23(32)33/h4-13,16,20-21,30-31H,14-15H2,1-3H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042629 (CHEMBL121309 | Sodium; 7-[3-(4-fluoro-phenyl)-5-is...) Show SMILES CC(C)c1nc(-c2ccccc2)n(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H27FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)28(19-10-8-18(26)9-11-19)25(27-24)17-6-4-3-5-7-17/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051875 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CNC(N)=O)O2)C(O)=O Show InChI InChI=1S/C36H50N2O13/c1-7-20(2)17-21(3)13-14-27(40)49-30-29(41)34(16-15-22(4)28(48-24(6)39)23(5)18-25-11-9-8-10-12-25)50-26(19-38-33(37)46)35(47,31(42)43)36(30,51-34)32(44)45/h8-14,20-21,23,26,28-30,41,47H,4,7,15-19H2,1-3,5-6H3,(H,42,43)(H,44,45)(H3,37,38,46)/b14-13+/t20-,21+,23+,26+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042601 (2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrah...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C |c:13,t:11| Show InChI InChI=1S/C25H38O5/c1-6-16(3)24(28)30-22-12-15(2)11-18-8-7-17(4)21(25(18,22)5)10-9-20-13-19(26)14-23(27)29-20/h7-8,11,15-17,19-22,26H,6,9-10,12-14H2,1-5H3/t15-,16-,17-,19+,20+,21-,22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042622 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-(...) Show SMILES CNc1cccc(c1)-c1nc(C(C)C)n(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H30FN3O4/c1-16(2)26-29-24(18-5-4-6-20(13-18)28-3)25(17-7-9-19(27)10-8-17)30(26)12-11-21(31)14-22(32)15-23(33)34/h4-13,16,21-22,28,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b12-11+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051879 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CN)O2)C(O)=O Show InChI InChI=1S/C35H49NO12/c1-7-20(2)17-21(3)13-14-27(38)46-30-29(39)33(47-26(19-36)34(44,31(40)41)35(30,48-33)32(42)43)16-15-22(4)28(45-24(6)37)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,26,28-30,39,44H,4,7,15-19,36H2,1-3,5-6H3,(H,40,41)(H,42,43)/b14-13+/t20-,21+,23+,26+,28+,29+,30+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281068 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-3,4-Dihydroxy-5-met...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(O)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H46O14/c1-5-17(2)15-18(3)11-12-22(34)44-25-24(36)30(14-13-21(33)23(35)19(4)16-20-9-7-6-8-10-20)45-26(27(37)38)31(43,28(39)40)32(25,46-30)29(41)42/h6-10,17-19,21,23-26,33,35-36,43H,5,11-16H2,1-4H3,(H,37,38)(H,39,40)(H,41,42)/t17-,18+,19-,21?,23+,24+,25+,26+,30-,31+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomes				Bioorg Med Chem Lett 3: 2527-2532 (1993) Article DOI: 10.1016/S0960-894X(01)80710-1 BindingDB Entry DOI: 10.7270/Q2HM58CM
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042612 (CHEMBL121610 | Sodium; 7-[5-(4-fluoro-2-methyl-phe...) Show SMILES CC(C)c1nc(c(-c2ccc(F)cc2C)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 |wU:21.23,18.20,(11.75,-8.16,;10.61,-7.13,;10.91,-5.62,;9.14,-7.61,;8.67,-9.07,;7.13,-9.07,;6.65,-7.61,;5.2,-7.13,;4.88,-5.62,;3.41,-5.16,;2.27,-6.18,;.8,-5.71,;2.59,-7.7,;4.06,-8.16,;4.39,-9.67,;7.9,-6.7,;7.88,-5.16,;9.23,-4.39,;9.21,-2.85,;7.88,-2.08,;10.56,-2.08,;10.54,-.54,;9.21,.23,;11.89,.23,;11.87,1.76,;13.21,2.54,;10.54,2.53,;6.22,-10.31,;4.69,-10.14,;3.78,-11.38,;4.41,-12.79,;3.5,-14.04,;5.95,-12.94,;6.84,-11.71,)| Show InChI InChI=1S/C26H28F2N2O4/c1-15(2)26-29-24(17-4-6-18(27)7-5-17)25(22-9-8-19(28)12-16(22)3)30(26)11-10-20(31)13-21(32)14-23(33)34/h4-12,15,20-21,31-32H,13-14H2,1-3H3,(H,33,34)/p-1/b11-10+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033185 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnn[nH]1)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,47:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C35H46N4O11/c1-7-19(2)17-20(3)13-14-25(41)48-28-27(42)33(16-15-21(4)26(23(6)40)22(5)18-24-11-9-8-10-12-24)49-29(30-36-38-39-37-30)34(47,31(43)44)35(28,50-33)32(45)46/h8-14,19-20,22,26-29,42,47H,4,7,15-18H2,1-3,5-6H3,(H,43,44)(H,45,46)(H,36,37,38,39)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281085 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(=O)OC Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)41)35(45,33(44)46-7)36(29,50-34)32(42)43)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037285 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Squalene synthase activity in juvenile male rat liver microsomes				Bioorg Med Chem Lett 3: 2527-2532 (1993) Article DOI: 10.1016/S0960-894X(01)80710-1 BindingDB Entry DOI: 10.7270/Q2HM58CM
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281062 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=O)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C32H44O14/c1-5-17(2)15-18(3)11-12-22(34)44-25-24(36)30(14-13-21(33)23(35)19(4)16-20-9-7-6-8-10-20)45-26(27(37)38)31(43,28(39)40)32(25,46-30)29(41)42/h6-10,17-19,23-26,35-36,43H,5,11-16H2,1-4H3,(H,37,38)(H,39,40)(H,41,42)/t17-,18+,19-,23+,24+,25+,26+,30-,31+,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomes				Bioorg Med Chem Lett 3: 2527-2532 (1993) Article DOI: 10.1016/S0960-894X(01)80710-1 BindingDB Entry DOI: 10.7270/Q2HM58CM
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042611 (CHEMBL333003 | Sodium; 3,5-dihydroxy-7-[6-hydroxy-...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@H](O)CC([O-])=O)[C@@]12C |c:13,t:11| Show InChI InChI=1S/C24H38O7/c1-5-14(2)23(30)31-21-12-18(26)10-16-7-6-15(3)20(24(16,21)4)9-8-17(25)11-19(27)13-22(28)29/h6-7,10,14-15,17-21,25-27H,5,8-9,11-13H2,1-4H3,(H,28,29)/p-1/t14-,15-,17?,18+,19-,20-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037285 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50051873 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of compound was measured against Candida squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Rattus norvegicus)	BDBM50051872 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281078 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O |TLB:40:39:34:12.13,47:39:34:12.13,THB:43:41:34:12.13,11:12:34:39.41.42| Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)46-7)35(45,32(41)42)36(29,50-34)33(43)44)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat squalene synthase				Bioorg Med Chem Lett 4: 1931-1936 (1994) Article DOI: 10.1016/S0960-894X(01)80537-0 BindingDB Entry DOI: 10.7270/Q2D50MW5
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281078 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O |TLB:40:39:34:12.13,47:39:34:12.13,THB:43:41:34:12.13,11:12:34:39.41.42| Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)46-7)35(45,32(41)42)36(29,50-34)33(43)44)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042616 ((E)-(3R,5S)-7-[2-tert-Butyl-4,5-bis-(4-fluoro-phen...) Show SMILES CC(C)(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F2N2O4/c1-26(2,3)25-29-23(16-4-8-18(27)9-5-16)24(17-6-10-19(28)11-7-17)30(25)13-12-20(31)14-21(32)15-22(33)34/h4-13,20-21,31-32H,14-15H2,1-3H3,(H,33,34)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033196 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O |TLB:39:38:33:12.13,46:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C36H48O13/c1-8-20(2)18-21(3)14-15-26(38)47-29-28(39)34(17-16-22(4)27(24(6)37)23(5)19-25-12-10-9-11-13-25)48-30(31(40)46-7)35(45,32(41)42)36(29,49-34)33(43)44/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042643 ((E)-(3R,5S)-7-[5-(3-Chloro-phenyl)-4-(4-fluoro-phe...) Show SMILES CC(C)c1nc(c(-c2cccc(Cl)c2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26ClFN2O4/c1-15(2)25-28-23(16-6-8-19(27)9-7-16)24(17-4-3-5-18(26)12-17)29(25)11-10-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b11-10+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037279 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-21,24-27,35-36,43H,6,12-17H2,1-5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,20?,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042634 ((E)-(3R,5S)-7-[2-Dimethylamino-4,5-bis-(4-fluoro-p...) Show SMILES CN(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C24H25F2N3O4/c1-28(2)24-27-22(15-3-7-17(25)8-4-15)23(16-5-9-18(26)10-6-16)29(24)12-11-19(30)13-20(31)14-21(32)33/h3-12,19-20,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037279 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-21,24-27,35-36,43H,6,12-17H2,1-5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,20?,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033184 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnc(NC)o1)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C37H49N3O12/c1-8-20(2)18-21(3)14-15-26(42)49-29-28(43)35(17-16-22(4)27(24(6)41)23(5)19-25-12-10-9-11-13-25)51-30(31-39-40-34(38-7)50-31)36(48,32(44)45)37(29,52-35)33(46)47/h9-15,20-21,23,27-30,43,48H,4,8,16-19H2,1-3,5-7H3,(H,38,40)(H,44,45)(H,46,47)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051874 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CN(C)C)O2)C(O)=O Show InChI InChI=1S/C37H53NO12/c1-9-22(2)19-23(3)15-16-29(40)48-32-31(41)35(49-28(21-38(7)8)36(46,33(42)43)37(32,50-35)34(44)45)18-17-24(4)30(47-26(6)39)25(5)20-27-13-11-10-12-14-27/h10-16,22-23,25,28,30-32,41,46H,4,9,17-21H2,1-3,5-8H3,(H,42,43)(H,44,45)/b16-15+/t22-,23+,25+,28+,30+,31+,32+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051866 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(C)=O)C(O)=O Show InChI InChI=1S/C36H48O13/c1-8-20(2)18-21(3)14-15-27(39)47-31-29(40)34(48-30(24(6)37)35(45,32(41)42)36(31,49-34)33(43)44)17-16-22(4)28(46-25(7)38)23(5)19-26-12-10-9-11-13-26/h9-15,20-21,23,28-31,40,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,28+,29+,30+,31+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051873 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Rattus norvegicus)	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Squalene synthase activity in juvenile male rat liver microsomes				Bioorg Med Chem Lett 3: 2527-2532 (1993) Article DOI: 10.1016/S0960-894X(01)80710-1 BindingDB Entry DOI: 10.7270/Q2HM58CM
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051873 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Rattus norvegicus)	BDBM50033199 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:39:38:33:12.13,45:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C35H46O13/c1-7-19(2)17-20(3)13-14-25(37)46-28-27(38)33(47-29(30(39)40)34(45,31(41)42)35(28,48-33)32(43)44)16-15-21(4)26(23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051873 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat squalene synthase				Bioorg Med Chem Lett 4: 1931-1936 (1994) Article DOI: 10.1016/S0960-894X(01)80537-0 BindingDB Entry DOI: 10.7270/Q2D50MW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Rattus norvegicus)	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051867 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](COC)O2)C(O)=O Show InChI InChI=1S/C36H50O13/c1-8-21(2)18-22(3)14-15-28(38)47-31-30(39)34(48-27(20-45-7)35(44,32(40)41)36(31,49-34)33(42)43)17-16-23(4)29(46-25(6)37)24(5)19-26-12-10-9-11-13-26/h9-15,21-22,24,27,29-31,39,44H,4,8,16-20H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t21-,22+,24+,27+,29+,30+,31+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50042628 ((E)-(3R,5S)-7-[4,5-Bis-(4-fluoro-phenyl)-2-trifluo...) Show SMILES O[C@H](C[C@H](O)\C=C\n1c(nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1)C(F)(F)F)CC([O-])=O Show InChI InChI=1S/C23H19F5N2O4/c24-15-5-1-13(2-6-15)20-21(14-3-7-16(25)8-4-14)30(22(29-20)23(26,27)28)10-9-17(31)11-18(32)12-19(33)34/h1-10,17-18,31-32H,11-12H2,(H,33,34)/p-1/b10-9+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)				J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037289 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-20,22,26-29,38,45H,4,7,13-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50051864 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O Show InChI InChI=1S/C35H48O13/c1-7-20(2)17-21(3)13-14-27(38)46-30-29(39)33(47-26(19-36)34(44,31(40)41)35(30,48-33)32(42)43)16-15-22(4)28(45-24(6)37)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,26,28-30,36,39,44H,4,7,15-19H2,1-3,5-6H3,(H,40,41)(H,42,43)/b14-13+/t20-,21+,23+,26+,28+,29+,30+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene synthase from rats				J Med Chem 39: 1413-22 (1996) Article DOI: 10.1021/jm950893j BindingDB Entry DOI: 10.7270/Q2Z0377G
					More data for this Ligand-Target Pair

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