Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'lacbay' and Initial = 'cm'   

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))	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))	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)
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
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
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
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))	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))	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))	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))	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))	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
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
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
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
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520645 (CHEMBL2347859 | US11279719, Example C-5) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	37	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))	BDBM50520638 (CHEMBL4471037 | US11279719, Example I-18) Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI InChI=1S/C21H20N4O7P2S/c1-12-5-7-13(8-6-12)19(26)22-15-4-2-3-14(11-15)17-23-18(16-9-10-35-20(16)24-17)25-21(33(27,28)29)34(30,31)32/h2-11,21H,1H3,(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 UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...				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))	BDBM50585609 (CHEMBL5082291) Show SMILES CO[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	38	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))	BDBM50585610 (CHEMBL5081807) Show SMILES CO[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	39	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))	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	39	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...				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))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)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	41	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))	BDBM543975 (US11279719, Example I-7) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)Nc2ccc(F)cc2)c1)P(O)(O)=O 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	41	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	42	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)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	49	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	BDBM50520639 (CHEMBL4465832 | US11279719, Example I-6) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(c1)C(=O)Nc1ccccc1)P(O)(O)=O Show InChI InChI=1S/C20H18N4O7P2S/c25-18(21-14-7-2-1-3-8-14)13-6-4-5-12(11-13)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	50	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...				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))	BDBM544003 (US11279719, Example I-35) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccc(cn2)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	52	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))	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	64	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	BDBM544000 (US11279719, Example I-32) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)Cc2cccnc2)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	71	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))	BDBM50520643 (CHEMBL4538679 | US11279719, Example I-39) Show SMILES COc1ccc(NC(=O)c2cccc(c2)-c2nc(NC(P(O)(O)=O)P(O)(O)=O)c3ccsc3n2)cc1 Show InChI InChI=1S/C21H20N4O8P2S/c1-33-15-7-5-14(6-8-15)22-19(26)13-4-2-3-12(11-13)17-23-18(16-9-10-36-20(16)24-17)25-21(34(27,28)29)35(30,31)32/h2-11,21H,1H3,(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 UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	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	75	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...				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))	BDBM50520645 (CHEMBL2347859 | US11279719, Example C-5) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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				3D Structure (crystal)
Geranylgeranyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50520646 (CHEMBL4564934 | US11279719, Example I-5) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI InChI=1S/C21H20N4O8P2S/c1-33-15-7-5-12(6-8-15)19(26)22-14-4-2-3-13(11-14)17-23-18(16-9-10-36-20(16)24-17)25-21(34(27,28)29)35(30,31)32/h2-11,21H,1H3,(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 UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	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	86	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	BDBM50520646 (CHEMBL4564934 | US11279719, Example I-5) Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI InChI=1S/C21H20N4O8P2S/c1-33-15-7-5-12(6-8-15)19(26)22-14-4-2-3-13(11-14)17-23-18(16-9-10-36-20(16)24-17)25-21(34(27,28)29)35(30,31)32/h2-11,21H,1H3,(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 UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 ...				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))	BDBM50520642 (CHEMBL2347861 | US11279719, Example C-10) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-10(8-4-2-1-3-5-8)25-12(9)15-7-14-11/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	BDBM50520638 (CHEMBL4471037 | US11279719, Example I-18) Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 Show InChI InChI=1S/C21H20N4O7P2S/c1-12-5-7-13(8-6-12)19(26)22-15-4-2-3-14(11-15)17-23-18(16-9-10-35-20(16)24-17)25-21(33(27,28)29)34(30,31)32/h2-11,21H,1H3,(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 UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	BDBM50520642 (CHEMBL2347861 | US11279719, Example C-10) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-10(8-4-2-1-3-5-8)25-12(9)15-7-14-11/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scint...				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))	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	460	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))	BDBM50520645 (CHEMBL2347859 | US11279719, Example C-5) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	550	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))	BDBM50520645 (CHEMBL2347859 | US11279719, Example C-5) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-9-6-7-25-12(9)15-10(14-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	550	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

Displayed 1 to 50 (of 156 total )  |  Next  |  Last  >>

Jump to: