Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50030226   

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
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292847 (4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosp...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O Show InChI InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292846 (4-(4-Biphenyl)butyldiphosphonic Acid Tetrapotassiu...) Show SMILES [O-]P([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)/p-4	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292848 (1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18FO7PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50049222 (1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...) Show SMILES CCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1 Show InChI InChI=1S/C19H25O7PS/c1-2-5-15-10-12-17(13-11-15)26-18-8-3-6-16(14-18)7-4-9-19(27(20,21)22)28(23,24)25/h3,6,8,10-14,19H,2,4-5,7,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292846 (4-(4-Biphenyl)butyldiphosphonic Acid Tetrapotassiu...) Show SMILES [O-]P([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)/p-4	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	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292852 (1-Phosphono-4-[3-(benzofuran-5-yloxy)phenyl]butyls...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc3occc3c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C18H19O8PS/c19-27(20,21)18(28(22,23)24)6-2-4-13-3-1-5-15(11-13)26-16-7-8-17-14(12-16)9-10-25-17/h1,3,5,7-12,18H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292847 (4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosp...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O Show InChI InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4	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	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50049215 (1-Phosphono-4-[3-(2-benzylphenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2Cc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/p-3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292849 (1-Phosphono-4-[3-(4-fluorophenoxy)-6-fluoro-phenyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cc(Oc2ccc(F)cc2)ccc1F)S([O-])(=O)=O Show InChI InChI=1S/C16H17F2O7PS/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)/p-3	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	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292863 (1-Phosphono-4-[3-(2-fluorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2F)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18FO7PS/c17-14-8-1-2-9-15(14)24-13-7-3-5-12(11-13)6-4-10-16(25(18,19)20)26(21,22)23/h1-3,5,7-9,11,16H,4,6,10H2,(H2,18,19,20)(H,21,22,23)/p-3	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	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292864 (1-Phosphono-4-[3-(3-fluorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cccc(F)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18FO7PS/c17-13-6-3-8-15(11-13)24-14-7-1-4-12(10-14)5-2-9-16(25(18,19)20)26(21,22)23/h1,3-4,6-8,10-11,16H,2,5,9H2,(H2,18,19,20)(H,21,22,23)/p-3	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	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292853 (1-Phosphono-4-[3-(3,4-dichlorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17Cl2O7PS/c17-14-8-7-13(10-15(14)18)25-12-5-1-3-11(9-12)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	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	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292848 (1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18FO7PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23)/p-3	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	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292850 (1-Phosphono-4-[3-(3,5-dichlorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(Cl)cc(Cl)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17Cl2O7PS/c17-12-8-13(18)10-15(9-12)25-14-5-1-3-11(7-14)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292860 (1-Phosphono-4-[3-(4-chlorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18ClO7PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23)/p-3	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50049236 ((+/-)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292851 (1-Phosphono-4-[3-(3,5-difluorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cc(F)cc(F)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17F2O7PS/c17-12-8-13(18)10-15(9-12)25-14-5-1-3-11(7-14)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	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	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292854 (1-Phosphono-4-[3-(3,4-difluorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)c(F)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17F2O7PS/c17-14-8-7-13(10-15(14)18)25-12-5-1-3-11(9-12)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	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	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292866 (1-Phosphono-4-(4-phenoxyphenyl)butylsulfonic Acid ...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(Oc2ccccc2)cc1)S([O-])(=O)=O Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)8-4-5-13-9-11-15(12-10-13)23-14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H,20,21,22)/p-3	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	42	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292862 (1-Phosphono-4-[3-(3-trifluoromethylphenoxy)phenyl]...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cccc(c2)C(F)(F)F)c1)S([O-])(=O)=O Show InChI InChI=1S/C17H18F3O7PS/c18-17(19,20)13-6-3-8-15(11-13)27-14-7-1-4-12(10-14)5-2-9-16(28(21,22)23)29(24,25)26/h1,3-4,6-8,10-11,16H,2,5,9H2,(H2,21,22,23)(H,24,25,26)/p-3	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	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292867 (1-Phosphono-4-(3-benzylphenyl)butylsulfonic Acid T...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Cc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C17H21O6PS/c18-24(19,20)17(25(21,22)23)11-5-9-15-8-4-10-16(13-15)12-14-6-2-1-3-7-14/h1-4,6-8,10,13,17H,5,9,11-12H2,(H2,18,19,20)(H,21,22,23)/p-3	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	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292875 (4-(4-Biphenyl)butyldiphosphonic Acid tripotassium ...) Show SMILES CP([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)P([O-])([O-])=O Show InChI InChI=1S/C17H22O5P2/c1-23(18,19)17(24(20,21)22)9-5-6-14-10-12-16(13-11-14)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,18,19)(H2,20,21,22)/p-3	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	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292868 (1-Phosphono-4-(3-phenylaminophenyl)butylsulfonic A...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Nc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12,16-17H,5,7,11H2,(H2,18,19,20)(H,21,22,23)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50049229 (1-Phosphono-4-[4-(4-butylphenyl)phenyl]butylsulfon...) Show SMILES CCCCc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C20H27O6PS/c1-2-3-5-16-8-12-18(13-9-16)19-14-10-17(11-15-19)6-4-7-20(27(21,22)23)28(24,25)26/h8-15,20H,2-7H2,1H3,(H2,21,22,23)(H,24,25,26)/p-3	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	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292874 (1-Phosphono-4-[3-(4-trifluoromethylphenoxy)phenyl]...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(cc2)C(F)(F)F)c1)S([O-])(=O)=O Show InChI InChI=1S/C17H18F3O7PS/c18-17(19,20)13-7-9-14(10-8-13)27-15-5-1-3-12(11-15)4-2-6-16(28(21,22)23)29(24,25)26/h1,3,5,7-11,16H,2,4,6H2,(H2,21,22,23)(H,24,25,26)/p-3	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	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292861 (1-Phosphono-4-[3-(2-trifluoromethylphenoxy)phenyl]...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccccc2C(F)(F)F)c1)S([O-])(=O)=O Show InChI InChI=1S/C17H18F3O7PS/c18-17(19,20)14-8-1-2-9-15(14)27-13-7-3-5-12(11-13)6-4-10-16(28(21,22)23)29(24,25)26/h1-3,5,7-9,11,16H,4,6,10H2,(H2,21,22,23)(H,24,25,26)/p-3	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	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292847 (4-[4-(4-Trifluoromethylphenyl)phenyl)]butyldiphosp...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)P([O-])([O-])=O Show InChI InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292872 (1-Phosphono-4-[4-(2,4-difluorophenyl)phenyl]butyls...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccc(F)cc1F)S([O-])(=O)=O Show InChI InChI=1S/C16H17F2O6PS/c17-13-8-9-14(15(18)10-13)12-6-4-11(5-7-12)2-1-3-16(25(19,20)21)26(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)/p-3	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	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50049219 (1-Phosphono-4-[4-(4-methylphenyl)phenyl]butylsulfo...) Show SMILES Cc1ccc(cc1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C17H21O6PS/c1-13-5-9-15(10-6-13)16-11-7-14(8-12-16)3-2-4-17(24(18,19)20)25(21,22)23/h5-12,17H,2-4H2,1H3,(H2,18,19,20)(H,21,22,23)/p-3	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	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50049231 (CHEMBL347175 | CHEMBL513790 | Trisodium salt of 4-...) Show SMILES [O-]P([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)S([O-])(=O)=O Show InChI InChI=1S/C16H19O6PS/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)(H,20,21,22)/p-3	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	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292857 (1-Phosphono-4-[3-(4-hydroxyphenoxy)phenyl]butylsul...) Show SMILES Oc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1 Show InChI InChI=1S/C16H19O8PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16-17H,2,4,6H2,(H2,18,19,20)(H,21,22,23)/p-3	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	470	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292846 (4-(4-Biphenyl)butyldiphosphonic Acid Tetrapotassiu...) Show SMILES [O-]P([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)/p-4	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292855 (1-Phosphono-4-[3-[4-(furan-2-yl)phenoxy]phenyl]but...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(cc2)-c2ccco2)c1)S([O-])(=O)=O Show InChI InChI=1S/C20H21O8PS/c21-29(22,23)20(30(24,25)26)8-2-5-15-4-1-6-18(14-15)28-17-11-9-16(10-12-17)19-7-3-13-27-19/h1,3-4,6-7,9-14,20H,2,5,8H2,(H2,21,22,23)(H,24,25,26)/p-3	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	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292869 (1-Phosphono-3-(3-phenoxyphenyl)propylsulfonic Acid...) Show SMILES [O-]P([O-])(=O)C(CCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C15H17O7PS/c16-23(17,18)15(24(19,20)21)10-9-12-5-4-8-14(11-12)22-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,16,17,18)(H,19,20,21)/p-3	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	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292858 (1-Phosphono-4-[3-(4-benzylphenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)11-5-9-19-8-4-10-22(17-19)30-21-14-12-20(13-15-21)16-18-6-2-1-3-7-18/h1-4,6-8,10,12-15,17,23H,5,9,11,16H2,(H2,24,25,26)(H,27,28,29)/p-3	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	720	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292845 (1-Phosphono-4-[3-(4-fluorophenoxy)-6-methoxy-pheny...) Show SMILES COc1ccc(Oc2ccc(F)cc2)cc1CCCC(P([O-])([O-])=O)S([O-])(=O)=O Show InChI InChI=1S/C17H20FO8PS/c1-25-16-10-9-15(26-14-7-5-13(18)6-8-14)11-12(16)3-2-4-17(27(19,20)21)28(22,23)24/h5-11,17H,2-4H2,1H3,(H2,19,20,21)(H,22,23,24)/p-3	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	790	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292856 (1-Phosphono-4-[3-(4-phenoxyphenoxy)phenyl]butylsul...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Oc3ccccc3)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C22H23O8PS/c23-31(24,25)22(32(26,27)28)11-5-7-17-6-4-10-21(16-17)30-20-14-12-19(13-15-20)29-18-8-2-1-3-9-18/h1-4,6,8-10,12-16,22H,5,7,11H2,(H2,23,24,25)(H,26,27,28)/p-3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292876 ((1S)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic ...) Show SMILES [O-]P([O-])(=O)[C@H](CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O |r| Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/p-3/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292854 (1-Phosphono-4-[3-(3,4-difluorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)c(F)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17F2O7PS/c17-14-8-7-13(10-15(14)18)25-12-5-1-3-11(9-12)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292871 (1-Phosphono-4-[4-(3-propoxyphenyl)phenyl]butylsulf...) Show SMILES CCCOc1cccc(c1)-c1ccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C19H25O7PS/c1-2-13-26-18-7-4-6-17(14-18)16-11-9-15(10-12-16)5-3-8-19(27(20,21)22)28(23,24)25/h4,6-7,9-12,14,19H,2-3,5,8,13H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292876 ((1S)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic ...) Show SMILES [O-]P([O-])(=O)[C@H](CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O |r| Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/p-3/t16-/m0/s1	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50292877 ((1R)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic ...) Show SMILES [O-]P([O-])(=O)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S([O-])(=O)=O |r| Show InChI InChI=1S/C16H19O7PS/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22)/p-3/t16-/m1/s1	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50049222 (1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...) Show SMILES CCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1 Show InChI InChI=1S/C19H25O7PS/c1-2-5-15-10-12-17(13-11-15)26-18-8-3-6-16(14-18)7-4-9-19(27(20,21)22)28(23,24)25/h3,6,8,10-14,19H,2,4-5,7,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292849 (1-Phosphono-4-[3-(4-fluorophenoxy)-6-fluoro-phenyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cc(Oc2ccc(F)cc2)ccc1F)S([O-])(=O)=O Show InChI InChI=1S/C16H17F2O7PS/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292852 (1-Phosphono-4-[3-(benzofuran-5-yloxy)phenyl]butyls...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc3occc3c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C18H19O8PS/c19-27(20,21)18(28(22,23)24)6-2-4-13-3-1-5-15(11-13)26-16-7-8-17-14(12-16)9-10-25-17/h1,3,5,7-12,18H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292864 (1-Phosphono-4-[3-(3-fluorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2cccc(F)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18FO7PS/c17-13-6-3-8-15(11-13)24-14-7-1-4-12(10-14)5-2-9-16(25(18,19)20)26(21,22)23/h1,3-4,6-8,10-11,16H,2,5,9H2,(H2,18,19,20)(H,21,22,23)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50049222 (1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulf...) Show SMILES CCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1 Show InChI InChI=1S/C19H25O7PS/c1-2-5-15-10-12-17(13-11-15)26-18-8-3-6-16(14-18)7-4-9-19(27(20,21)22)28(23,24)25/h3,6,8,10-14,19H,2,4-5,7,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292853 (1-Phosphono-4-[3-(3,4-dichlorophenoxy)phenyl]butyl...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H17Cl2O7PS/c17-14-8-7-13(10-15(14)18)25-12-5-1-3-11(9-12)4-2-6-16(26(19,20)21)27(22,23)24/h1,3,5,7-10,16H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292848 (1-Phosphono-4-[3-(4-fluorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(F)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18FO7PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50292860 (1-Phosphono-4-[3-(4-chlorophenoxy)phenyl]butylsulf...) Show SMILES [O-]P([O-])(=O)C(CCCc1cccc(Oc2ccc(Cl)cc2)c1)S([O-])(=O)=O Show InChI InChI=1S/C16H18ClO7PS/c17-13-7-9-14(10-8-13)24-15-5-1-3-12(11-15)4-2-6-16(25(18,19)20)26(21,22)23/h1,3,5,7-11,16H,2,4,6H2,(H2,18,19,20)(H,21,22,23)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay				J Med Chem 52: 976-88 (2009) Article DOI: 10.1021/jm801023u BindingDB Entry DOI: 10.7270/Q2VM4C87
					More data for this Ligand-Target Pair

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