Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'berger' and Initial = 'gd'   

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)	BDBM50038096 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(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	CHEMBL PC cid PC sid UniChem Similars	Article	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of squalene synthase in rat liver.				Bioorg Med Chem Lett 3: 2029-2034 (1993) Article DOI: 10.1016/S0960-894X(01)81008-8 BindingDB Entry DOI: 10.7270/Q22J6BSG
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038096 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(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	CHEMBL PC cid PC sid UniChem Similars	Article	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against squalene synthase in rat liver squalene synthase (RLSS) enzyme assay				Bioorg Med Chem Lett 4: 1591-1594 (1994) Article DOI: 10.1016/S0960-894X(01)80572-2 BindingDB Entry DOI: 10.7270/Q2TB16T4
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038096 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(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	CHEMBL PC cid PC sid UniChem Similars	Article	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory activity of the compound was evaluated against squalene synthase in rat liver.				Bioorg Med Chem Lett 5: 1643-1646 (1995) Article DOI: 10.1016/0960-894X(95)00283-Y BindingDB Entry DOI: 10.7270/Q2DB81T0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038093 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038102 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)OCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C43H56O16/c1-28(33(56-30(3)44)29(2)27-31-19-13-11-14-20-31)23-24-41-34(45)35(43(59-41,39(50)51)42(53,38(48)49)36(58-41)37(46)47)57-40(52)55-26-18-10-8-6-4-5-7-9-17-25-54-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,45,53H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038087 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C42H56O14/c1-28(33(54-30(3)43)29(2)27-31-19-13-11-14-20-31)23-24-40-34(44)35(42(56-40,39(49)50)41(51,38(47)48)36(55-40)37(45)46)53-26-18-10-8-6-4-5-7-9-17-25-52-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,44,51H,1,4-10,17-18,23-27H2,2-3H3,(H,45,46)(H,47,48)(H,49,50)/t29-,33-,34-,35-,36?,40?,41?,42?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038138 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C43H57NO15/c1-28(33(56-30(3)45)29(2)27-31-19-13-11-14-20-31)23-24-41-34(46)35(43(59-41,39(51)52)42(54,38(49)50)36(58-41)37(47)48)57-40(53)44-25-17-9-7-5-4-6-8-10-18-26-55-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,46,54H,1,4-10,17-18,23-27H2,2-3H3,(H,44,53)(H,47,48)(H,49,50)(H,51,52)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038092 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C39H58O13/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-49-32-31(41)37(51-33(34(42)43)38(48,35(44)45)39(32,52-37)36(46)47)23-22-26(2)30(50-28(4)40)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,41,48H,2,5-15,19,22-25H2,1,3-4H3,(H,42,43)(H,44,45)(H,46,47)/t27-,30-,31-,32-,33?,37?,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038089 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-30-29(39)35(49-31(32(40)41)36(46,33(42)43)37(30,50-35)34(44)45)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39,46H,2,5-13,17,20-23H2,1,3-4H3,(H,40,41)(H,42,43)(H,44,45)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038120 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C42H54O15/c1-27(33(54-29(3)43)28(2)26-30-18-12-10-13-19-30)23-24-40-34(45)35(42(57-40,39(50)51)41(52,38(48)49)36(56-40)37(46)47)55-32(44)22-16-8-6-4-5-7-9-17-25-53-31-20-14-11-15-21-31/h10-15,18-21,28,33-36,45,52H,1,4-9,16-17,22-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038123 ((6R,7R)-4,7-Dihydroxy-1-(5-methyl-6-phenyl-hexyl)-...) Show SMILES CC(CCCCC12OC([C@H](OC(=O)CC\C=C\C(C)CCCc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O)Cc1ccccc1 Show InChI InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25?,26?,30-,31-,32?,36?,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038122 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C39H50O14/c1-25(30(51-27(3)40)26(2)24-28-16-10-8-11-17-28)20-21-37-31(41)32(39(53-37,36(46)47)38(48,35(44)45)33(52-37)34(42)43)50-23-15-7-5-4-6-14-22-49-29-18-12-9-13-19-29/h8-13,16-19,26,30-33,41,48H,1,4-7,14-15,20-24H2,2-3H3,(H,42,43)(H,44,45)(H,46,47)/t26-,30-,31-,32-,33?,37?,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038121 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H55NO14/c1-5-6-7-8-9-10-11-12-13-17-22-39-35(48)51-30-29(41)36(52-31(32(42)43)37(49,33(44)45)38(30,53-36)34(46)47)21-20-24(2)28(50-26(4)40)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,41,49H,2,5-13,17,20-23H2,1,3-4H3,(H,39,48)(H,42,43)(H,44,45)(H,46,47)/t25-,28-,29-,30-,31?,36?,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038091 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(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	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038151 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C38H54O15/c1-5-6-7-8-9-10-11-12-13-17-22-49-35(47)51-30-29(40)36(52-31(32(41)42)37(48,33(43)44)38(30,53-36)34(45)46)21-20-24(2)28(50-26(4)39)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,40,48H,2,5-13,17,20-23H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t25-,28-,29-,30-,31?,36?,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038125 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C39H56O14/c1-5-6-7-8-9-10-11-12-13-14-18-21-29(41)51-32-31(42)37(52-33(34(43)44)38(49,35(45)46)39(32,53-37)36(47)48)23-22-25(2)30(50-27(4)40)26(3)24-28-19-16-15-17-20-28/h15-17,19-20,26,30-33,42,49H,2,5-14,18,21-24H2,1,3-4H3,(H,43,44)(H,45,46)(H,47,48)/t26-,30-,31-,32-,33?,37?,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038090 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)CCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O13/c1-7-20(2)18-21(3)12-11-17-45-28-27(37)33(47-29(30(38)39)34(44,31(40)41)35(28,48-33)32(42)43)16-15-22(4)26(46-24(6)36)23(5)19-25-13-9-8-10-14-25/h8-10,13-14,20-21,23,26-29,37,44H,4,7,11-12,15-19H2,1-3,5-6H3,(H,38,39)(H,40,41)(H,42,43)/t20-,21+,23+,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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038119 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O13/c1-5-6-7-8-9-10-11-15-20-45-28-27(37)33(47-29(30(38)39)34(44,31(40)41)35(28,48-33)32(42)43)19-18-22(2)26(46-24(4)36)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,37,44H,2,5-11,15,18-21H2,1,3-4H3,(H,38,39)(H,40,41)(H,42,43)/t23-,26-,27-,28-,29?,33?,34?,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038096 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(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	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038103 ((6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)C[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O12/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/h7-13,19-20,22,25-27,35,42H,4,6,14-18H2,1-3,5H3,(H,36,37)(H,38,39)(H,40,41)/b13-12+/t19-,20+,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	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038114 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)CCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H50O15/c1-7-20(2)18-21(3)12-11-17-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)16-15-22(4)26(48-24(6)37)23(5)19-25-13-9-8-10-14-25/h8-10,13-14,20-21,23,26-29,38,46H,4,7,11-12,15-19H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/t20-,21+,23+,26+,27+,28+,29?,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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038135 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C40H59NO14/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-41-37(50)53-32-31(43)38(54-33(34(44)45)39(51,35(46)47)40(32,55-38)36(48)49)23-22-26(2)30(52-28(4)42)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,43,51H,2,5-15,19,22-25H2,1,3-4H3,(H,41,50)(H,44,45)(H,46,47)(H,48,49)/t27-,30-,31-,32-,33?,38?,39?,40?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50038102 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)OCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C43H56O16/c1-28(33(56-30(3)44)29(2)27-31-19-13-11-14-20-31)23-24-41-34(45)35(43(59-41,39(50)51)42(53,38(48)49)36(58-41)37(46)47)57-40(52)55-26-18-10-8-6-4-5-7-9-17-25-54-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,45,53H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50038089 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-30-29(39)35(49-31(32(40)41)36(46,33(42)43)37(30,50-35)34(44)45)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39,46H,2,5-13,17,20-23H2,1,3-4H3,(H,40,41)(H,42,43)(H,44,45)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038127 ((6R,7R)-1-(4-Acetoxy-5-methyl-6-phenyl-hexyl)-4,7-...) Show SMILES CC(CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)C2(CCCC(OC(C)=O)C(C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25?,26?,30?,32-,33-,34?,38?,39?,40?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038128 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CCCCCCCCCCc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C42H54O14/c1-27(33(53-29(3)43)28(2)26-31-21-15-11-16-22-31)24-25-40-34(45)35(42(56-40,39(50)51)41(52,38(48)49)36(55-40)37(46)47)54-32(44)23-17-9-7-5-4-6-8-12-18-30-19-13-10-14-20-30/h10-11,13-16,19-22,28,33-36,45,52H,1,4-9,12,17-18,23-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038104 ((6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oct-2-enoyloxy...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(=O)CC)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H48O14/c1-7-20(3)18-21(4)14-15-26(38)48-29-28(39)34(49-30(31(40)41)35(46,32(42)43)36(29,50-34)33(44)45)17-16-22(5)27(47-25(37)8-2)23(6)19-24-12-10-9-11-13-24/h9-15,20-21,23,27-30,39,46H,5,7-8,16-19H2,1-4,6H3,(H,40,41)(H,42,43)(H,44,45)/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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044104 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038101 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C41H60O14/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31(43)53-34-33(44)39(54-35(36(45)46)40(51,37(47)48)41(34,55-39)38(49)50)25-24-27(2)32(52-29(4)42)28(3)26-30-21-18-17-19-22-30/h17-19,21-22,28,32-35,44,51H,2,5-16,20,23-26H2,1,3-4H3,(H,45,46)(H,47,48)(H,49,50)/t28-,32-,33-,34-,35?,39?,40?,41?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50038093 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/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	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038088 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O14/c1-5-6-7-8-12-15-23(35)45-26-25(36)31(46-27(28(37)38)32(43,29(39)40)33(26,47-31)30(41)42)17-16-19(2)24(44-21(4)34)20(3)18-22-13-10-9-11-14-22/h9-11,13-14,20,24-27,36,43H,2,5-8,12,15-18H2,1,3-4H3,(H,37,38)(H,39,40)(H,41,42)/t20-,24-,25-,26-,27?,31?,32?,33?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044103 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(=O)OCCC(C)C)C(O)=O Show InChI InChI=1S/C40H56O14/c1-9-24(4)21-25(5)15-16-30(42)52-33-32(43)38(19-17-26(6)31(51-28(8)41)27(7)22-29-13-11-10-12-14-29)53-34(35(44)50-20-18-23(2)3)39(49,36(45)46)40(33,54-38)37(47)48/h10-16,23-25,27,31-34,43,49H,6,9,17-22H2,1-5,7-8H3,(H,45,46)(H,47,48)/b16-15+/t24-,25+,27+,31?,32+,33-,34?,38?,39?,40?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038144 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCCCOC1(C(OC2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1([C@H](O)[C@H]2O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C39H58O13/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-49-39(36(47)48)33(34(43)44)51-37(31(41)32(42)38(39,52-37)35(45)46)23-22-26(2)30(50-28(4)40)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,41-42H,2,5-15,19,22-25H2,1,3-4H3,(H,43,44)(H,45,46)(H,47,48)/t27-,30-,31-,32-,33?,37?,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038154 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C41H62O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-34-33(43)39(53-35(36(44)45)40(50,37(46)47)41(34,54-39)38(48)49)25-24-28(2)32(52-30(4)42)29(3)27-31-22-19-18-20-23-31/h18-20,22-23,29,32-35,43,50H,2,5-17,21,24-27H2,1,3-4H3,(H,44,45)(H,46,47)(H,48,49)/t29-,32-,33-,34-,35?,39?,40?,41?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038106 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H52O14/c1-5-6-7-8-9-10-11-12-16-19-27(39)49-30-29(40)35(50-31(32(41)42)36(47,33(43)44)37(30,51-35)34(45)46)21-20-23(2)28(48-25(4)38)24(3)22-26-17-14-13-15-18-26/h13-15,17-18,24,28-31,40,47H,2,5-12,16,19-22H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t24-,28-,29-,30-,31?,35?,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038111 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCC34CC5CC(CC(C5)C3)C4)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O |TLB:34:33:36:29.28.30,34:29:36:33.35.32,THB:32:33:28:31.36.30,32:31:28:33.35.34| Show InChI InChI=1S/C37H47NO14/c1-19(26(49-21(3)39)20(2)11-22-7-5-4-6-8-22)9-10-35-27(40)28(37(52-35,32(45)46)36(48,31(43)44)29(51-35)30(41)42)50-33(47)38-18-34-15-23-12-24(16-34)14-25(13-23)17-34/h4-8,20,23-29,40,48H,1,9-18H2,2-3H3,(H,38,47)(H,41,42)(H,43,44)(H,45,46)/t20-,23?,24?,25?,26-,27-,28-,29?,34?,35?,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038129 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC[C@H](C)C[C@H](C)CCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H51NO14/c1-7-20(2)18-21(3)12-11-17-37-33(46)49-28-27(39)34(50-29(30(40)41)35(47,31(42)43)36(28,51-34)32(44)45)16-15-22(4)26(48-24(6)38)23(5)19-25-13-9-8-10-14-25/h8-10,13-14,20-21,23,26-29,39,47H,4,7,11-12,15-19H2,1-3,5-6H3,(H,37,46)(H,40,41)(H,42,43)(H,44,45)/t20-,21+,23+,26+,27+,28+,29?,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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038149 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](O)[C@H]1O)(C(O)=O)C(OCCCCCCCCOc1ccccc1)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C39H50O14/c1-25(30(51-27(3)40)26(2)24-28-16-10-8-11-17-28)20-21-37-31(41)32(42)38(53-37,35(45)46)39(36(47)48,33(52-37)34(43)44)50-23-15-7-5-4-6-14-22-49-29-18-12-9-13-19-29/h8-13,16-19,26,30-33,41-42H,1,4-7,14-15,20-24H2,2-3H3,(H,43,44)(H,45,46)(H,47,48)/t26-,30-,31-,32-,33?,37?,38?,39?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044100 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C42H52O14/c1-7-25(2)22-26(3)18-19-32(44)54-35-34(45)40(21-20-27(4)33(53-29(6)43)28(5)23-30-14-10-8-11-15-30)55-36(37(46)52-24-31-16-12-9-13-17-31)41(51,38(47)48)42(35,56-40)39(49)50/h8-19,25-26,28,33-36,45,51H,4,7,20-24H2,1-3,5-6H3,(H,47,48)(H,49,50)/b19-18+/t25-,26+,28+,33?,34+,35-,36?,40?,41?,42?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50038106 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C37H52O14/c1-5-6-7-8-9-10-11-12-16-19-27(39)49-30-29(40)35(50-31(32(41)42)36(47,33(43)44)37(30,51-35)34(45)46)21-20-23(2)28(48-25(4)38)24(3)22-26-17-14-13-15-18-26/h13-15,17-18,24,28-31,40,47H,2,5-12,16,19-22H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t24-,28-,29-,30-,31?,35?,36?,37?/m1/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	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038097 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCNC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C36H51NO14/c1-5-6-7-8-9-10-11-15-20-37-33(46)49-28-27(39)34(50-29(30(40)41)35(47,31(42)43)36(28,51-34)32(44)45)19-18-22(2)26(48-24(4)38)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,39,47H,2,5-11,15,18-21H2,1,3-4H3,(H,37,46)(H,40,41)(H,42,43)(H,44,45)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038131 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](O)[C@H]1O)(C(O)=O)C(OCCCCCCCCCCCOc1ccccc1)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C42H56O14/c1-28(33(54-30(3)43)29(2)27-31-19-13-11-14-20-31)23-24-40-34(44)35(45)41(56-40,38(48)49)42(39(50)51,36(55-40)37(46)47)53-26-18-10-8-6-4-5-7-9-17-25-52-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,44-45H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,40?,41?,42?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038155 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCCCCCCCCCOC1(C(OC2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1([C@H](O)[C@H]2O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-37(34(45)46)31(32(41)42)49-35(29(39)30(40)36(37,50-35)33(43)44)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39-40H,2,5-13,17,20-23H2,1,3-4H3,(H,41,42)(H,43,44)(H,45,46)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038117 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)NCc3ccccc3)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H37NO14/c1-18(23(45-20(3)35)19(2)16-21-10-6-4-7-11-21)14-15-31-24(36)25(46-30(43)34-17-22-12-8-5-9-13-22)33(48-31,29(41)42)32(44,28(39)40)26(47-31)27(37)38/h4-13,19,23-26,36,44H,1,14-17H2,2-3H3,(H,34,43)(H,37,38)(H,39,40)(H,41,42)/t19-,23-,24-,25-,26?,31?,32?,33?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038107 ((6R,7R)-6-((4R,6S)-4,6-Dimethyl-octanoyloxy)-4,7-d...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)C2(CCCCCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C31H44O12/c1-4-19(2)18-20(3)15-16-22(32)41-24-23(33)29(17-11-6-5-8-12-21-13-9-7-10-14-21)42-25(26(34)35)30(40,27(36)37)31(24,43-29)28(38)39/h7,9-10,13-14,19-20,23-25,33,40H,4-6,8,11-12,15-18H2,1-3H3,(H,34,35)(H,36,37)(H,38,39)/t19-,20+,23+,24+,25?,29?,30?,31?/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044102 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(=O)OC)C(O)=O 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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038152 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12OC([C@H](OC(=O)CC(C)(C)C)[C@H]1O)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C31H40O14/c1-16(21(42-18(3)32)17(2)14-19-10-8-7-9-11-19)12-13-29-22(34)23(43-20(33)15-28(4,5)6)31(45-29,27(39)40)30(41,26(37)38)24(44-29)25(35)36/h7-11,17,21-24,34,41H,1,12-15H2,2-6H3,(H,35,36)(H,37,38)(H,39,40)/t17-,21-,22-,23-,24?,29?,30?,31?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038130 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CCCCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C29H38O13/c1-5-6-14-39-22-21(31)27(41-23(24(32)33)28(38,25(34)35)29(22,42-27)26(36)37)13-12-16(2)20(40-18(4)30)17(3)15-19-10-8-7-9-11-19/h7-11,17,20-23,31,38H,2,5-6,12-15H2,1,3-4H3,(H,32,33)(H,34,35)(H,36,37)/t17-,20-,21-,22-,23?,27?,28?,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038099 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC(C)CCO[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C30H40O13/c1-16(2)12-14-40-23-22(32)28(42-24(25(33)34)29(39,26(35)36)30(23,43-28)27(37)38)13-11-17(3)21(41-19(5)31)18(4)15-20-9-7-6-8-10-20/h6-10,16,18,21-24,32,39H,3,11-15H2,1-2,4-5H3,(H,33,34)(H,35,36)(H,37,38)/t18-,21-,22-,23-,24?,28?,29?,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50038143 ((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...) Show SMILES CC(C)OC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C29H36O15/c1-14(2)40-26(38)42-21-20(31)27(43-22(23(32)33)28(39,24(34)35)29(21,44-27)25(36)37)12-11-15(3)19(41-17(5)30)16(4)13-18-9-7-6-8-10-18/h6-10,14,16,19-22,31,39H,3,11-13H2,1-2,4-5H3,(H,32,33)(H,34,35)(H,36,37)/t16-,19-,20-,21-,22?,27?,28?,29?/m1/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for inhibition against squalene synthase enzyme in rat liver				J Med Chem 37: 4031-51 (1994) BindingDB Entry DOI: 10.7270/Q2PC31F0
					More data for this Ligand-Target Pair

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