Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'tsantrizos' and Initial = 'ys'   

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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM25308 ((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...) Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 25: 1117-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human FPPS (1 to 353 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before addition...				J Med Chem 62: 9691-9702 (2019) Article DOI: 10.1021/acs.jmedchem.9b01104 BindingDB Entry DOI: 10.7270/Q23T9MJV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50098378 ((1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound relative to control				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50098378 ((1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting				J Med Chem 61: 6904-6917 (2018) Article DOI: 10.1021/acs.jmedchem.8b00886 BindingDB Entry DOI: 10.7270/Q2CJ8HWF
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 25: 1117-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate incubated for 10 mi...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl 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	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl 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	DrugBank MMDB PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50443050 (CHEMBL3087938) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc(cc1)C1CC1(F)F)P(O)(O)=O Show InChI InChI=1S/C16H15F2N3O6P2S/c17-16(18)6-11(16)8-1-3-9(4-2-8)12-5-10-13(19-7-20-14(10)30-12)21-15(28(22,23)24)29(25,26)27/h1-5,7,11,15H,6H2,(H,19,20,21)(H2,22,23,24)(H2,25,26,27)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair
Farnesyl 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	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 25: 1117-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl 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	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl 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	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl 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	DrugBank MMDB PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...				Bioorg Med Chem 20: 5583-91 (2012) Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50421091 (CHEMBL2088336) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-14-9-11(7-8-16-14)10-1-3-12(4-2-10)24-13-5-6-13/h1-4,7-9,13,15H,5-6H2,(H,16,17)(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...				Bioorg Med Chem 20: 5583-91 (2012) Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50443052 (CHEMBL3087936 | US11279719, Example C-13) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C16H17N3O7P2S/c20-27(21,22)16(28(23,24)25)19-14-12-7-13(29-15(12)18-8-17-14)9-1-3-10(4-2-9)26-11-5-6-11/h1-4,7-8,11,16H,5-6H2,(H,17,18,19)(H2,20,21,22)(H2,23,24,25)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50443052 (CHEMBL3087936 | US11279719, Example C-13) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C16H17N3O7P2S/c20-27(21,22)16(28(23,24)25)19-14-12-7-13(29-15(12)18-8-17-14)9-1-3-10(4-2-9)26-11-5-6-11/h1-4,7-8,11,16H,5-6H2,(H,17,18,19)(H2,20,21,22)(H2,23,24,25)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585603 (CHEMBL5087030) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1Br Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50443055 (CHEMBL3087933) Show SMILES COc1ccc(cc1)-c1cc2c(NC(P(O)(O)=O)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H15N3O7P2S/c1-24-9-4-2-8(3-5-9)11-6-10-12(15-7-16-13(10)27-11)17-14(25(18,19)20)26(21,22)23/h2-7,14H,1H3,(H,15,16,17)(H2,18,19,20)(H2,21,22,23)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50421094 (CHEMBL2088339) Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50421094 (CHEMBL2088339) Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...				Bioorg Med Chem 20: 5583-91 (2012) Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585613 (CHEMBL5088349) Show SMILES COc1ccc(cc1F)[C@H](OC(C)C)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM544004 (US11279719, Example I-36) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50421094 (CHEMBL2088339) Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50421094 (CHEMBL2088339) Show SMILES OP(O)(=O)C(Nc1cncc(c1)-c1ccc(OC2CC2)cc1)P(O)(O)=O Show InChI InChI=1S/C15H18N2O7P2/c18-25(19,20)15(26(21,22)23)17-12-7-11(8-16-9-12)10-1-3-13(4-2-10)24-14-5-6-14/h1-4,7-9,14-15,17H,5-6H2,(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520641 (CHEMBL4455060 | US11279719, Example I-13) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccccc2)c1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(12-5-2-1-3-6-12)21-14-8-4-7-13(11-14)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585614 (CHEMBL5082193) Show SMILES COc1ccc(cc1F)[C@@H](OC(C)C)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50443054 (CHEMBL3087934 | US11279719, Example C-12) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc(cc1)C(F)(F)F)P(O)(O)=O Show InChI InChI=1S/C14H12F3N3O6P2S/c15-14(16,17)8-3-1-7(2-4-8)10-5-9-11(18-6-19-12(9)29-10)20-13(27(21,22)23)28(24,25)26/h1-6,13H,(H,18,19,20)(H2,21,22,23)(H2,24,25,26)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585601 (CHEMBL5077349) Show SMILES Cc1ccc(cc1F)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585611 (CHEMBL5077117) Show SMILES CC(C)O[C@H](C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1)c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50432306 (CHEMBL2347862) Show SMILES Cc1ccc(cc1)-c1cc2c(NC(P(O)(O)=O)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H15N3O6P2S/c1-8-2-4-9(5-3-8)11-6-10-12(15-7-16-13(10)26-11)17-14(24(18,19)20)25(21,22)23/h2-7,14H,1H3,(H,15,16,17)(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50432306 (CHEMBL2347862) Show SMILES Cc1ccc(cc1)-c1cc2c(NC(P(O)(O)=O)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H15N3O6P2S/c1-8-2-4-9(5-3-8)11-6-10-12(15-7-16-13(10)26-11)17-14(24(18,19)20)25(21,22)23/h2-7,14H,1H3,(H,15,16,17)(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50443054 (CHEMBL3087934 | US11279719, Example C-12) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc(cc1)C(F)(F)F)P(O)(O)=O Show InChI InChI=1S/C14H12F3N3O6P2S/c15-14(16,17)8-3-1-7(2-4-8)10-5-9-11(18-6-19-12(9)29-10)20-13(27(21,22)23)28(24,25)26/h1-6,13H,(H,18,19,20)(H2,21,22,23)(H2,24,25,26)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting				J Med Chem 61: 6904-6917 (2018) Article DOI: 10.1021/acs.jmedchem.8b00886 BindingDB Entry DOI: 10.7270/Q2CJ8HWF
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585612 (CHEMBL5089506) Show SMILES CC(C)O[C@@H](C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1)c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585606 (CHEMBL5085126) Show SMILES Cc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585604 (CHEMBL5083916) Show SMILES COc1ccc(NS(=O)(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585608 (CHEMBL5075557) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)Cc2ccccc2)c1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585605 (CHEMBL5080782) Show SMILES COc1ccc(cc1F)S(=O)(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520640 (CHEMBL4472025 | US11279719, Example I-34) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccc(F)cc2)c1)P(O)(O)=O Show InChI InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520637 (CHEMBL4577077 | US11279719, Example I-37) Show SMILES COc1ccc(NC(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1F Show InChI InChI=1S/C21H19FN4O8P2S/c1-34-16-6-5-13(10-15(16)22)23-19(27)12-4-2-3-11(9-12)17-24-18(14-7-8-37-20(14)25-17)26-21(35(28,29)30)36(31,32)33/h2-10,21H,1H3,(H,23,27)(H,24,25,26)(H2,28,29,30)(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50386555 (CHEMBL2048241) Show SMILES CC(C)Oc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50386555 (CHEMBL2048241) Show SMILES CC(C)Oc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...				Bioorg Med Chem 20: 5583-91 (2012) Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585599 (CHEMBL5088555) Show SMILES COc1ccc(cc1F)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585602 (CHEMBL5075029) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50386558 (CHEMBL2048244) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C17H22N2O7P2/c20-27(21,22)17(28(23,24)25)19-16-11-13(9-10-18-16)12-5-7-15(8-6-12)26-14-3-1-2-4-14/h5-11,14,17H,1-4H2,(H,18,19)(H2,20,21,22)(H2,23,24,25)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50138725 ((1-phosphono-2-pyridin-3-yl-ethyl)-phosphonic acid...) Show SMILES OP(O)(=O)C(Cc1cccnc1)P(O)(O)=O Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585607 (CHEMBL5080121) Show SMILES COc1ccc(NC(=O)Nc2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50386557 (CHEMBL2048243) Show SMILES Cc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C13H16N2O6P2/c1-9-2-4-10(5-3-9)11-6-7-14-12(8-11)15-13(22(16,17)18)23(19,20)21/h2-8,13H,1H3,(H,14,15)(H2,16,17,18)(H2,19,20,21)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50386556 (CHEMBL2048242) Show SMILES OP(O)(=O)C(Nc1cc(ccn1)-c1ccc(OC2CCC2)cc1)P(O)(O)=O Show InChI InChI=1S/C16H20N2O7P2/c19-26(20,21)16(27(22,23)24)18-15-10-12(8-9-17-15)11-4-6-14(7-5-11)25-13-2-1-3-13/h4-10,13,16H,1-3H2,(H,17,18)(H2,19,20,21)(H2,22,23,24)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
					More data for this Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50585600 (CHEMBL5092247) Show SMILES COc1ccc(cc1Br)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) us...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01913 BindingDB Entry DOI: 10.7270/Q28K7F00
					More data for this Ligand-Target Pair

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