Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50006633   

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
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)	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)	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)	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
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
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 PubMed	n/a	n/a	26	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)	BDBM50051878 ((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](CNS(=O)(=O)C(F)(F)F)O2)C(O)=O Show InChI InChI=1S/C36H48F3NO14S/c1-7-20(2)17-21(3)13-14-27(42)52-30-29(43)33(16-15-22(4)28(51-24(6)41)23(5)18-25-11-9-8-10-12-25)53-26(19-40-55(49,50)36(37,38)39)34(48,31(44)45)35(30,54-33)32(46)47/h8-14,20-21,23,26,28-30,40,43,48H,4,7,15-19H2,1-3,5-6H3,(H,44,45)(H,46,47)/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	60	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)	BDBM50051871 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6]-[#6@H](-[#6])\[#6]=[#6]\[#6](=O)-[#8]-[#6@@H]1-[#6@@H](-[#8])[C@]2([#6]-[#6]-[#6](=[#6])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6])-[#6]-c3ccccc3)[#8][C@@]1([#6](-[#8])=O)[C@@]([#8])([#6@@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#8]2)[#6](-[#8])=O Show InChI InChI=1S/C36H51N3O12/c1-7-20(2)17-21(3)13-14-27(41)49-30-29(42)34(16-15-22(4)28(48-24(6)40)23(5)18-25-11-9-8-10-12-25)50-26(19-39-33(37)38)35(47,31(43)44)36(30,51-34)32(45)46/h8-14,20-21,23,26,28-30,42,47H,4,7,15-19H2,1-3,5-6H3,(H,43,44)(H,45,46)(H4,37,38,39)/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	65	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)	BDBM50051868 ((1S,3R,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](CO)O2)C(O)=O Show InChI InChI=1S/C25H32O12/c1-13(18(35-15(3)27)14(2)11-16-7-5-4-6-8-16)9-10-23-19(28)20(29)25(37-23,22(32)33)24(34,21(30)31)17(12-26)36-23/h4-8,14,17-20,26,28-29,34H,1,9-12H2,2-3H3,(H,30,31)(H,32,33)/t14-,17-,18-,19-,20-,23+,24-,25+/m1/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	395	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)	BDBM50051870 ((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(C)=O)C(O)=O Show InChI InChI=1S/C26H32O12/c1-13(18(36-16(4)28)14(2)12-17-8-6-5-7-9-17)10-11-24-19(29)20(30)26(38-24,23(33)34)25(35,22(31)32)21(37-24)15(3)27/h5-9,14,18-21,29-30,35H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)/t14-,18-,19-,20-,21-,24+,25-,26+/m1/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	500	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)	BDBM50051876 ((1S,3R,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](CNC(N)=O)O2)C(O)=O Show InChI InChI=1S/C26H34N2O12/c1-13(18(38-15(3)29)14(2)11-16-7-5-4-6-8-16)9-10-24-19(30)20(31)26(40-24,22(34)35)25(37,21(32)33)17(39-24)12-28-23(27)36/h4-8,14,17-20,30-31,37H,1,9-12H2,2-3H3,(H,32,33)(H,34,35)(H3,27,28,36)/t14-,17-,18-,19-,20-,24+,25-,26+/m1/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	>1.00E+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)	BDBM50051869 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES COC[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O Show InChI InChI=1S/C26H34O12/c1-14(19(36-16(3)27)15(2)12-17-8-6-5-7-9-17)10-11-24-20(28)21(29)26(38-24,23(32)33)25(34,22(30)31)18(37-24)13-35-4/h5-9,15,18-21,28-29,34H,1,10-13H2,2-4H3,(H,30,31)(H,32,33)/t15-,18-,19-,20-,21-,24+,25-,26+/m1/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	>1.00E+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)	BDBM50051877 ((1S,3R,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](CN)O2)C(O)=O Show InChI InChI=1S/C25H33NO11/c1-13(18(35-15(3)27)14(2)11-16-7-5-4-6-8-16)9-10-23-19(28)20(29)25(37-23,22(32)33)24(34,21(30)31)17(12-26)36-23/h4-8,14,17-20,28-29,34H,1,9-12,26H2,2-3H3,(H,30,31)(H,32,33)/t14-,17-,18-,19-,20-,23+,24-,25+/m1/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	>1.00E+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)	BDBM50051865 ((1S,3R,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](CNS(=O)(=O)C(F)(F)F)O2)C(O)=O Show InChI InChI=1S/C26H32F3NO13S/c1-13(18(41-15(3)31)14(2)11-16-7-5-4-6-8-16)9-10-23-19(32)20(33)25(43-23,22(36)37)24(38,21(34)35)17(42-23)12-30-44(39,40)26(27,28)29/h4-8,14,17-20,30,32-33,38H,1,9-12H2,2-3H3,(H,34,35)(H,36,37)/t14-,17-,18-,19-,20-,23+,24-,25+/m1/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	1.00E+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