Compile Data Set for Download or QSAR

Found 246 hits with Last Name = 'no' and Initial = 'jh'   

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)	BDBM50268509 (CHEMBL495623 | N-[3-(3-(3,4-Dichlorophenoxy)phenyl...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H18Cl2NO5P/c18-15-7-6-14(10-16(15)19)25-13-5-1-3-12(9-13)4-2-8-20-17(21)11-26(22,23)24/h1,3,5-7,9-10H,2,4,8,11H2,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268510 (CHEMBL495624 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487150 (BUT-3-YNYL DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCC#C Show InChI InChI=1S/C4H8O7P2/c1-2-3-4-10-13(8,9)11-12(5,6)7/h1H,3-4H2,(H,8,9)(H2,5,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	60	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 Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268511 (CHEMBL497634 | N-[3-(3-(4-Chlorophenoxy)phenyl)pro...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268512 (3-(3-Phenoxyphenyl)propylphosphinylmethylphosphoni...) Show SMILES [O-]P([O-])(=O)CP([O-])(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H22O6P2/c18-24(19,14-25(20,21)22)12-5-4-7-15-8-6-11-17(13-15)23-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,18,19)(H2,20,21,22)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	220	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268627 (CHEMBL496801 | N-Hydroxy-2-phosphono-5-(3-phenoxyp...) Show SMILES ONC(=O)C(CCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	300	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268563 (CHEMBL497617 | N-Hydroxy-N-[3-(3-phenoxyphenyl)pro...) Show SMILES ON(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(13-25(21,22)23)18(20)11-5-7-14-6-4-10-16(12-14)24-15-8-2-1-3-9-15/h1-4,6,8-10,12,20H,5,7,11,13H2,(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268562 (CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...) Show SMILES ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H18Cl2NO6P/c18-15-7-6-14(10-16(15)19)26-13-5-1-3-12(9-13)4-2-8-20(22)17(21)11-27(23,24)25/h1,3,5-7,9-10,22H,2,4,8,11H2,(H2,23,24,25)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Pseudomonas aeruginosa)	BDBM228817 (IspH inhibitor, 8) Show SMILES CCN1CCN2C(C1)C1(Cc3cc(N)ccc23)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C17H21N5O3/c1-2-21-5-6-22-12-4-3-11(18)7-10(12)8-17(13(22)9-21)14(23)19-16(25)20-15(17)24/h3-4,7,13H,2,5-6,8-9,18H2,1H3,(H2,19,20,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois					Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...				Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268625 (CHEMBL447414 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268510 (CHEMBL495624 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM228818 (8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...) Show SMILES Nc1ccc2N3CCN(Cc4ccccc4)CC3C3(Cc2c1)C(=O)NC(=O)NC3=O Show InChI InChI=1S/C22H23N5O3/c23-16-6-7-17-15(10-16)11-22(19(28)24-21(30)25-20(22)29)18-13-26(8-9-27(17)18)12-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13,23H2,(H2,24,25,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois					Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...				Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268509 (CHEMBL495623 | N-[3-(3-(3,4-Dichlorophenoxy)phenyl...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C17H18Cl2NO5P/c18-15-7-6-14(10-16(15)19)25-13-5-1-3-12(9-13)4-2-8-20-17(21)11-26(22,23)24/h1,3,5-7,9-10H,2,4,8,11H2,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268564 (CHEMBL497815 | N-[3-(4-Biphenyl)propyl]phosphonoac...) Show SMILES OP(O)(=O)CC(=O)NCCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H20NO4P/c19-17(13-23(20,21)22)18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,18,19)(H2,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	810	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268565 (CHEMBL497410 | N-[3-(3-Phenoxyphenyl)propyl]sulfoa...) Show SMILES OS(=O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19NO5S/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	810	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268566 (CHEMBL497618 | N-Methyl-N-[3-(3-phenoxyphenyl)prop...) Show SMILES CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C18H22NO5P/c1-19(18(20)14-25(21,22)23)12-6-8-15-7-5-11-17(13-15)24-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268625 (CHEMBL447414 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES CC(C)(C(=O)NCCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268566 (CHEMBL497618 | N-Methyl-N-[3-(3-phenoxyphenyl)prop...) Show SMILES CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C18H22NO5P/c1-19(18(20)14-25(21,22)23)12-6-8-15-7-5-11-17(13-15)24-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268511 (CHEMBL497634 | N-[3-(3-(4-Chlorophenoxy)phenyl)pro...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCc1cccc(Oc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487149 (PYRIDIN-3-YL-ETHYL-DIPHOSPHATE) Show SMILES OP(O)(=O)OP(O)(=O)OCCc1cccnc1 Show InChI InChI=1S/C7H11NO7P2/c9-16(10,11)15-17(12,13)14-5-3-7-2-1-4-8-6-7/h1-2,4,6H,3,5H2,(H,12,13)(H2,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	1.20E+3	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 Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268626 (CHEMBL524084 | N-[2-(3-Phenoxyphenyl)ethyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H18NO5P/c18-16(12-23(19,20)21)17-10-9-13-5-4-8-15(11-13)22-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,17,18)(H2,19,20,21)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268562 (CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...) Show SMILES ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H18Cl2NO6P/c18-15-7-6-14(10-16(15)19)26-13-5-1-3-12(9-13)4-2-8-20(22)17(21)11-27(23,24)25/h1,3,5-7,9-10,22H,2,4,8,11H2,(H2,23,24,25)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Escherichia coli (Enterobacteria))	BDBM228818 (8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...) Show SMILES Nc1ccc2N3CCN(Cc4ccccc4)CC3C3(Cc2c1)C(=O)NC(=O)NC3=O Show InChI InChI=1S/C22H23N5O3/c23-16-6-7-17-15(10-16)11-22(19(28)24-21(30)25-20(22)29)18-13-26(8-9-27(17)18)12-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13,23H2,(H2,24,25,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois					Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and...				Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50336506 (2-(decyl(methyl)amino)ethane-1,1-diyldiphosphonic ...) Show SMILES CCCCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H31NO6P2/c1-3-4-5-6-7-8-9-10-11-14(2)12-13(21(15,16)17)22(18,19)20/h13H,3-12H2,1-2H3,(H2,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Immunology Curated by ChEMBL					Assay Description Inhibition of human GGPPS				Antimicrob Agents Chemother 54: 2987-93 (2010) Checked by Author Article DOI: 10.1128/AAC.00198-10 BindingDB Entry DOI: 10.7270/Q2PK0GF9
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268627 (CHEMBL496801 | N-Hydroxy-2-phosphono-5-(3-phenoxyp...) Show SMILES ONC(=O)C(CCCc1cccc(Oc2ccccc2)c1)P([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.10E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268628 (CHEMBL496802 | N-[4-(3-Phenoxyphenyl)butyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H22NO5P/c20-18(14-25(21,22)23)19-12-5-4-7-15-8-6-11-17(13-15)24-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268629 (3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotas...) Show SMILES [O-]P([O-])(=O)CC(=O)OCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19O6P/c18-17(13-24(19,20)21)22-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H2,19,20,21)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.70E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268626 (CHEMBL524084 | N-[2-(3-Phenoxyphenyl)ethyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H18NO5P/c18-16(12-23(19,20)21)17-10-9-13-5-4-8-15(11-13)22-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,17,18)(H2,19,20,21)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+3	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25259 (3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphono...) Show SMILES CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Immunology Curated by ChEMBL					Assay Description Inhibition of human GGPPS				Antimicrob Agents Chemother 54: 2987-93 (2010) Checked by Author Article DOI: 10.1128/AAC.00198-10 BindingDB Entry DOI: 10.7270/Q2PK0GF9
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268676 (2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipo...) Show SMILES [O-]P([O-])(=O)CC(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H21O5P/c19-16(14-24(20,21)22)9-5-4-7-15-8-6-12-18(13-15)23-17-10-2-1-3-11-17/h1-3,6,8,10-13H,4-5,7,9,14H2,(H2,20,21,22)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>7.00E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268677 (CHEMBL498628 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)13-25(21,22)17-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12,17H,5,7,11,13H2,(H2,18,19,20)/p-2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>7.00E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268678 (CHEMBL525377 | N-Hydroxy-N-[3-(4-methylbiphenyl)pr...) Show SMILES Cc1ccc(cc1)-c1ccc(CCCN(O)C(=O)CP(O)(O)=O)cc1 Show InChI InChI=1S/C18H22NO5P/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)3-2-12-19(21)18(20)13-25(22,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>7.00E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268679 (CHEMBL523897 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H19NO4/c20-17(13-18(21)22)19-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,19,20)(H,21,22)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	>7.00E+3	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 histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50336505 (2-(methyl(octyl)amino)ethane-1,1-diyldiphosphonic ...) Show SMILES CCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C11H27NO6P2/c1-3-4-5-6-7-8-9-12(2)10-11(19(13,14)15)20(16,17)18/h11H,3-10H2,1-2H3,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Immunology Curated by ChEMBL					Assay Description Inhibition of human GGPPS				Antimicrob Agents Chemother 54: 2987-93 (2010) Checked by Author Article DOI: 10.1128/AAC.00198-10 BindingDB Entry DOI: 10.7270/Q2PK0GF9
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268676 (2-Oxo-6-(4-phenoxyphenyl)hexylphosphonic Acid Dipo...) Show SMILES [O-]P([O-])(=O)CC(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H21O5P/c19-16(14-24(20,21)22)9-5-4-7-15-8-6-12-18(13-15)23-17-10-2-1-3-11-17/h1-3,6,8,10-13H,4-5,7,9,14H2,(H2,20,21,22)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268564 (CHEMBL497815 | N-[3-(4-Biphenyl)propyl]phosphonoac...) Show SMILES OP(O)(=O)CC(=O)NCCCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H20NO4P/c19-17(13-23(20,21)22)18-12-4-5-14-8-10-16(11-9-14)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268565 (CHEMBL497410 | N-[3-(3-Phenoxyphenyl)propyl]sulfoa...) Show SMILES OS(=O)(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19NO5S/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268628 (CHEMBL496802 | N-[4-(3-Phenoxyphenyl)butyl]phospho...) Show SMILES [O-]P([O-])(=O)CC(=O)NCCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H22NO5P/c20-18(14-25(21,22)23)19-12-5-4-7-15-8-6-11-17(13-15)24-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20)(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268677 (CHEMBL498628 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]P([O-])(=O)CS(=O)(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C16H20NO6PS/c18-24(19,20)13-25(21,22)17-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12,17H,5,7,11,13H2,(H2,18,19,20)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268678 (CHEMBL525377 | N-Hydroxy-N-[3-(4-methylbiphenyl)pr...) Show SMILES Cc1ccc(cc1)-c1ccc(CCCN(O)C(=O)CP(O)(O)=O)cc1 Show InChI InChI=1S/C18H22NO5P/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)3-2-12-19(21)18(20)13-25(22,23)24/h4-11,21H,2-3,12-13H2,1H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268679 (CHEMBL523897 | N-[3-(3-Phenoxyphenyl)propyl]phosph...) Show SMILES [O-]C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C18H19NO4/c20-17(13-18(21)22)19-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,19,20)(H,21,22)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268563 (CHEMBL497617 | N-Hydroxy-N-[3-(3-phenoxyphenyl)pro...) Show SMILES ON(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O Show InChI InChI=1S/C17H20NO6P/c19-17(13-25(21,22)23)18(20)11-5-7-14-6-4-10-16(12-14)24-15-8-2-1-3-9-15/h1-4,6,8-10,12,20H,5,7,11,13H2,(H2,21,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268512 (3-(3-Phenoxyphenyl)propylphosphinylmethylphosphoni...) Show SMILES [O-]P([O-])(=O)CP([O-])(=O)CCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H22O6P2/c18-24(19,14-25(20,21)22)12-5-4-7-15-8-6-11-17(13-15)23-16-9-2-1-3-10-16/h1-3,6,8-11,13H,4-5,7,12,14H2,(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	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50268629 (3-(3-Phenoxyphenyl)propyl Phosphonoacetate Dipotas...) Show SMILES [O-]P([O-])(=O)CC(=O)OCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H19O6P/c18-17(13-24(19,20)21)22-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H2,19,20,21)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+4	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 human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Immunology Curated by ChEMBL					Assay Description Inhibition of human GGPPS				Antimicrob Agents Chemother 54: 2987-93 (2010) Checked by Author Article DOI: 10.1128/AAC.00198-10 BindingDB Entry DOI: 10.7270/Q2PK0GF9
					More data for this Ligand-Target Pair
4,4'-diapophytoene synthase (Staphylococcus aureus)	BDBM50268680 (CHEMBL495807 | N-3-(3-phenoxyphenyl)propylphosphon...) Show SMILES CC(=O)NP(O)(=O)OCCCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H20NO5P/c1-14(19)18-24(20,21)22-12-6-8-15-7-5-11-17(13-15)23-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12H2,1H3,(H2,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho...				J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50428292 (CHEMBL2338356) Show SMILES CCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C9H18N2O7P2/c1-2-3-4-10-5-6-11(8-10)7-9(12,19(13,14)15)20(16,17)18/h5-6,8,12H,2-4,7H2,1H3,(H3-,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
PrenylX Research Institute Curated by ChEMBL					Assay Description Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...				ACS Med Chem Lett 4: 423-427 (2013) Article DOI: 10.1021/ml4000436 BindingDB Entry DOI: 10.7270/Q2KP83GB
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50428292 (CHEMBL2338356) Show SMILES CCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C9H18N2O7P2/c1-2-3-4-10-5-6-11(8-10)7-9(12,19(13,14)15)20(16,17)18/h5-6,8,12H,2-4,7H2,1H3,(H3-,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
PrenylX Research Institute Curated by ChEMBL					Assay Description Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis				ACS Med Chem Lett 4: 423-427 (2013) Article DOI: 10.1021/ml4000436 BindingDB Entry DOI: 10.7270/Q2KP83GB
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50428291 (CHEMBL2338355) Show SMILES CCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H16N2O7P2/c1-2-3-9-4-5-10(7-9)6-8(11,18(12,13)14)19(15,16)17/h4-5,7,11H,2-3,6H2,1H3,(H3-,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
PrenylX Research Institute Curated by ChEMBL					Assay Description Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...				ACS Med Chem Lett 4: 423-427 (2013) Article DOI: 10.1021/ml4000436 BindingDB Entry DOI: 10.7270/Q2KP83GB
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50428296 (CHEMBL2338360) Show SMILES CCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C13H26N2O7P2/c1-2-3-4-5-6-7-8-14-9-10-15(12-14)11-13(16,23(17,18)19)24(20,21)22/h9-10,12,16H,2-8,11H2,1H3,(H3-,17,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
PrenylX Research Institute Curated by ChEMBL					Assay Description Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...				ACS Med Chem Lett 4: 423-427 (2013) Article DOI: 10.1021/ml4000436 BindingDB Entry DOI: 10.7270/Q2KP83GB
					More data for this Ligand-Target Pair

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