Compile Data Set for Download or QSAR

Found 863 hits of ic50 data for polymerid = 50001234,50001393   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene synthase (Rattus norvegicus)	BDBM50029174 (CHEMBL131973 | N-(1-methylethyl)-3-[(3-prop-2-en-1...) Show SMILES CC(C)NCCCOc1ccc(cc1CC=C)-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					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)	BDBM50029177 (CHEMBL134337 | Propionic acid 3-allyl-4-(3-isoprop...) Show SMILES CCC(=O)Oc1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C18H27NO3/c1-5-8-15-13-16(22-18(20)6-2)9-10-17(15)21-12-7-11-19-14(3)4/h5,9-10,13-14,19H,1,6-8,11-12H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					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 (Homo sapiens (Human))	BDBM50292336 (CHEMBL507677 | desacetoxy-zaragozic acid) Show SMILES C[C@@H](CCCC[C@]12O[C@@]([C@H](OC(=O)CC\C=C\[C@@H](C)CCCc3ccccc3)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)Cc1ccccc1 |r| 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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of squalene synthase				J Nat Prod 59: 52-54 (1996) Article DOI: 10.1021/np960003i BindingDB Entry DOI: 10.7270/Q2Q52PND
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50292415 (CHEMBL504845 | Zaragozic Acid B) Show SMILES C\C=C\CCCC\C=C\CCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C(O)C(C)C\C=C\c3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C39H54O13/c1-4-5-6-7-8-9-10-11-12-13-17-23-29(40)50-32-31(42)37(51-33(34(43)44)38(49,35(45)46)39(32,52-37)36(47)48)25-24-27(3)30(41)26(2)19-18-22-28-20-15-14-16-21-28/h4-5,10-11,14-16,18,20-22,26-27,30-33,41-42,49H,6-9,12-13,17,19,23-25H2,1-3H3,(H,43,44)(H,45,46)(H,47,48)/b5-4+,11-10+,22-18+/t26?,27?,30?,31-,32-,33-,37+,38-,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase by liqiud scintillation counting				J Nat Prod 56: 1923-1929 (1993) Article DOI: 10.1021/np50101a009 BindingDB Entry DOI: 10.7270/Q2M908Q1
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029166 (Acetaldehyde O-[3-allyl-4-(3-isopropylamino-propox...) Show SMILES C\C=N\OCc1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					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 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HepG2 Squalene Synthase (SQS)				Bioorg Med Chem Lett 5: 1989-1994 (1995) Article DOI: 10.1016/0960-894X(95)00339-U BindingDB Entry DOI: 10.7270/Q2B56K6F
					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 (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 (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 (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	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rat squalene synthase				Bioorg Med Chem Lett 5: 2403-2408 (1995) Article DOI: 10.1016/0960-894X(95)00419-T BindingDB Entry DOI: 10.7270/Q2NK3F0W
					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 (Homo sapiens (Human))	BDBM50292333 (CHEMBL505374 | zaragozic acid C) Show SMILES C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[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/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of squalene synthase				J Nat Prod 59: 52-54 (1996) Article DOI: 10.1021/np960003i BindingDB Entry DOI: 10.7270/Q2Q52PND
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50442114 (CHEMBL2441090) Show SMILES CCc1c(OC)cccc1[C@H]1O[C@H](CC(O)=O)c2nnc(n2-c2ccc(Cl)cc12)C(F)(F)F |r| Show InChI InChI=1S/C22H19ClF3N3O4/c1-3-12-13(5-4-6-16(12)32-2)19-14-9-11(23)7-8-15(14)29-20(17(33-19)10-18(30)31)27-28-21(29)22(24,25)26/h4-9,17,19H,3,10H2,1-2H3,(H,30,31)/t17-,19-/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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of rat hepatic microsomal squalene synthase using [3H]FPP as substrate after by scintillation spectrophotometry				ACS Med Chem Lett 4: 932-6 (2013) Article DOI: 10.1021/ml400151c BindingDB Entry DOI: 10.7270/Q2J67JCV
					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)	BDBM50292333 (CHEMBL505374 | zaragozic acid C) Show SMILES C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[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/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-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase by liqiud scintillation counting				J Nat Prod 56: 1923-1929 (1993) Article DOI: 10.1021/np50101a009 BindingDB Entry DOI: 10.7270/Q2M908Q1
					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 synthase (Homo sapiens (Human))	BDBM50338903 (CHEMBL1684849 | Ethyl 1-{4-[{4-chloro-2-[(2-fluoro...) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1F Show InChI InChI=1S/C30H38ClFN2O5/c1-5-39-29(38)20-14-16-33(17-15-20)26(35)12-13-27(36)34(19-30(2,3)4)25-11-10-21(31)18-23(25)28(37)22-8-6-7-9-24(22)32/h6-11,18,20,28,37H,5,12-17,19H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of squalene synthase				Bioorg Med Chem 19: 1930-49 (2011) Article DOI: 10.1016/j.bmc.2011.01.065 BindingDB Entry DOI: 10.7270/Q2ZG6SJ3
					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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase by liqiud scintillation counting				J Nat Prod 56: 1923-1929 (1993) Article DOI: 10.1021/np50101a009 BindingDB Entry DOI: 10.7270/Q2M908Q1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Rattus norvegicus)	BDBM50388376 (CHEMBL2057637) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(CC(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C26H25ClN4O5/c1-34-23-7-3-5-18(26(23)35-2)25-19-13-16(27)8-9-20(19)31-11-4-6-21(31)22(36-25)10-12-30-15-17(28-29-30)14-24(32)33/h3-9,11,13,15,22,25H,10,12,14H2,1-2H3,(H,32,33)/t22-,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	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of squalene synthase in rat hepatic cells				Bioorg Med Chem 20: 3072-93 (2012) Article DOI: 10.1016/j.bmc.2012.02.054 BindingDB Entry DOI: 10.7270/Q2B8595B
					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))	BDBM50285068 ((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...) Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene synthase (SQS) obtained from HepG2 cells				Bioorg Med Chem Lett 6: 463-466 (1996) Article DOI: 10.1016/0960-894X(96)00033-9 BindingDB Entry DOI: 10.7270/Q2MG7PG7
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50285068 ((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...) Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HepG2 Squalene Synthase (SQS)				Bioorg Med Chem Lett 5: 1989-1994 (1995) Article DOI: 10.1016/0960-894X(95)00339-U BindingDB Entry DOI: 10.7270/Q2B56K6F
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50388375 (CHEMBL2057636) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(nn3)C(O)=O)c3cccn3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C25H23ClN4O5/c1-33-22-7-3-5-16(24(22)34-2)23-17-13-15(26)8-9-19(17)30-11-4-6-20(30)21(35-23)10-12-29-14-18(25(31)32)27-28-29/h3-9,11,13-14,21,23H,10,12H2,1-2H3,(H,31,32)/t21-,23-/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	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of squalene synthase in rat hepatic cells				Bioorg Med Chem 20: 3072-93 (2012) Article DOI: 10.1016/j.bmc.2012.02.054 BindingDB Entry DOI: 10.7270/Q2B8595B
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029171 (CHEMBL341371 | N-[3-Benzyl-4-(3-isopropylamino-pro...) Show SMILES CCC(=O)Nc1ccc(OCCCNC(C)C)c(Cc2ccccc2)c1 Show InChI InChI=1S/C22H30N2O2/c1-4-22(25)24-20-11-12-21(26-14-8-13-23-17(2)3)19(16-20)15-18-9-6-5-7-10-18/h5-7,9-12,16-17,23H,4,8,13-15H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029159 (CHEMBL132881 | [3-(2-Allyl-4-butoxy-phenoxy)-propy...) Show SMILES CCCCOc1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C19H31NO2/c1-5-7-13-21-18-10-11-19(17(15-18)9-6-2)22-14-8-12-20-16(3)4/h6,10-11,15-16,20H,2,5,7-9,12-14H2,1,3-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					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 synthase (Rattus norvegicus)	BDBM50388378 (CHEMBL2057639) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(COCC(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C27H27ClN4O6/c1-35-24-7-3-5-19(27(24)36-2)26-20-13-17(28)8-9-21(20)32-11-4-6-22(32)23(38-26)10-12-31-14-18(29-30-31)15-37-16-25(33)34/h3-9,11,13-14,23,26H,10,12,15-16H2,1-2H3,(H,33,34)/t23-,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	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of squalene synthase in rat hepatic cells				Bioorg Med Chem 20: 3072-93 (2012) Article DOI: 10.1016/j.bmc.2012.02.054 BindingDB Entry DOI: 10.7270/Q2B8595B
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50388348 (CHEMBL2057952) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(COC(C)(C)C(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C29H31ClN4O6/c1-29(2,28(35)36)39-17-19-16-33(32-31-19)14-12-24-23-8-6-13-34(23)22-11-10-18(30)15-21(22)26(40-24)20-7-5-9-25(37-3)27(20)38-4/h5-11,13,15-16,24,26H,12,14,17H2,1-4H3,(H,35,36)/t24-,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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of squalene synthase in rat hepatic cells				Bioorg Med Chem 20: 3072-93 (2012) Article DOI: 10.1016/j.bmc.2012.02.054 BindingDB Entry DOI: 10.7270/Q2B8595B
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50031845 ((4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic aci...) Show SMILES OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition rat liver microsomal squalene synthase				J Med Chem 38: 2596-605 (1995) BindingDB Entry DOI: 10.7270/Q2BV7FNW
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50031845 ((4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic aci...) Show SMILES OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand				J Med Chem 39: 657-60 (1996) Article DOI: 10.1021/jm9507340 BindingDB Entry DOI: 10.7270/Q2N29W1T
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50442115 (CHEMBL2440128) Show SMILES COc1cccc([C@H]2O[C@H](CC(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1OC(F)(F)F |r| Show InChI InChI=1S/C21H14ClF6N3O5/c1-34-13-4-2-3-10(17(13)36-21(26,27)28)16-11-7-9(22)5-6-12(11)31-18(14(35-16)8-15(32)33)29-30-19(31)20(23,24)25/h2-7,14,16H,8H2,1H3,(H,32,33)/t14-,16-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of rat hepatic microsomal squalene synthase using [3H]FPP as substrate after by scintillation spectrophotometry				ACS Med Chem Lett 4: 932-6 (2013) Article DOI: 10.1021/ml400151c BindingDB Entry DOI: 10.7270/Q2J67JCV
					More data for this Ligand-Target Pair

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