BindingDB PrimarySearch

BDBM25270 [(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptadeca-2,6,11,15-tetraen-9-yl]phosphonic acid::bisphosphonate, 5

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

InChI Key: InChIKey=SQERRIVHBWCION-IWGRKNQJSA-N

Data: 9 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 25270
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
National Taiwan University					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant GGDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using FPP and [14C]IPP as substrate treated with enzy...				Bioorg Med Chem 22: 2791-8 (2014) Article DOI: 10.1016/j.bmc.2014.03.014 BindingDB Entry DOI: 10.7270/Q2TD9ZWV
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria				Bioorg Med Chem 16: 3652-60 (2008) Article DOI: 10.1016/j.bmc.2008.02.016 BindingDB Entry DOI: 10.7270/Q2TB17RN
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	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	>1.00E+4	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 21: 2229-40 (2013) Article DOI: 10.1016/j.bmc.2013.02.006 BindingDB Entry DOI: 10.7270/Q2GM88PG
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	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	>1.00E+4	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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	410	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 GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 ...				J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	590	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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25270 ([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria				Bioorg Med Chem 16: 390-9 (2008) Article DOI: 10.1016/j.bmc.2007.09.029 BindingDB Entry DOI: 10.7270/Q26M37PP
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair