BindingDB PrimarySearch

BDBM12576 Bisphosphonate 1::CHEMBL923::JMC515594 Compound 64::RIS::Risdronate::[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid

SMILES: OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=IIDJRNMFWXDHID-UHFFFAOYSA-N

Data: 6 KI 36 IC50 2 ITC

PDB links: 18 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 12576
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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Putative farnesyl pyrophosphate synthase (Cryptosporidium parvum)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.380	-13.4	45.7	n/a	n/a	n/a	n/a	7.7	37
University of Toronto					Assay Description Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.				Chem Biol 15: 1296-306 (2008) Article DOI: 10.1016/j.chembiol.2008.10.017 BindingDB Entry DOI: 10.7270/Q25B00XQ
University of Toronto					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	16	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 Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	17	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 Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	82.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
National Institute of Immunology Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase was determined				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
University of Iowa Curated by ChEMBL					Assay Description Inhibition of FDPS (unknown origin)				Bioorg Med Chem Lett 25: 2331-4 (2015) Article DOI: 10.1016/j.bmcl.2015.04.021 BindingDB Entry DOI: 10.7270/Q2M61MZN
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against FPPS in Leishmania major				J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.360	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 FPPS using pre-incubation of compound with enzyme				ACS Med Chem Lett 6: 349-54 (2015) Article DOI: 10.1021/ml500528x BindingDB Entry DOI: 10.7270/Q2251KW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	82	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 FPPS in absence of pre-incubation of compound with enzyme				ACS Med Chem Lett 6: 349-54 (2015) Article DOI: 10.1021/ml500528x BindingDB Entry DOI: 10.7270/Q2251KW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	300	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 expressed in Escherichia coli				Bioorg Med Chem Lett 20: 5781-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.133 BindingDB Entry DOI: 10.7270/Q21G0MGG
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+8	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
National Institute of Immunology Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Trypanosoma cruzi)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting				Bioorg Med Chem 19: 2211-7 (2011) Article DOI: 10.1016/j.bmc.2011.02.037 BindingDB Entry DOI: 10.7270/Q2R211QB
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Toxoplasma gondii)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting				Bioorg Med Chem 19: 2211-7 (2011) Article DOI: 10.1016/j.bmc.2011.02.037 BindingDB Entry DOI: 10.7270/Q2R211QB
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.57E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli				J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	453	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Toxoplasma gondii)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii recombinant FPPS expressed in Escherichia coli using [4-14C]IPP/DMAPP/GPP as substrate after 30 mins by scintillation...				Bioorg Med Chem 22: 398-405 (2013) Article DOI: 10.1016/j.bmc.2013.11.010 BindingDB Entry DOI: 10.7270/Q2Z89DW3
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Trypanosoma cruzi)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC				Eur J Med Chem 60: 431-40 (2013) Article DOI: 10.1016/j.ejmech.2012.12.015 BindingDB Entry DOI: 10.7270/Q2ZG6TJH
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Toxoplasma gondii)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC				Eur J Med Chem 60: 431-40 (2013) Article DOI: 10.1016/j.ejmech.2012.12.015 BindingDB Entry DOI: 10.7270/Q2ZG6TJH
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair
Hexokinase (Trypanosoma cruzi)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.31E+12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi hexokinase				J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 18: 2878-82 (2008) Article DOI: 10.1016/j.bmcl.2008.03.088 BindingDB Entry DOI: 10.7270/Q2WM1F9P
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	860	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 measured after 20 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				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari "A. Moro" Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escherichia coli BL21 using DMAPP and IPP as substrates pretreated for 15 mi...				Eur J Med Chem 158: 184-200 (2018) Article DOI: 10.1016/j.ejmech.2018.08.044 BindingDB Entry DOI: 10.7270/Q2MS3WFV
University of Bari "A. Moro" Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of FDPS (unknown origin)				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126757
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against the human recombinant FPPSase(Farnesyl diphosphate) enzyme				J Med Chem 45: 2185-96 (2002) BindingDB Entry DOI: 10.7270/Q2KH0MN1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).				J Med Chem 45: 2185-96 (2002) BindingDB Entry DOI: 10.7270/Q2KH0MN1
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 FPPS (unknown origin)				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
McGill University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) (Aquifex aeolicus)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation counting				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
Wroclaw University of Technology Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 12576
Cell (A)	Syringe (B)	Cell Links	Syringe Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Farnesyl Diphosphate Synthase (FPPS) (Trypanosoma brucei)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...)	GoogleScholar PDB	DrugBank KEGG MMDB PC cid PC sid PDB	-9.69	-0.846	-8.86	7.12	7.40	26.9
University of Illinois at Urbana-Champaign		GoogleScholar PDB	DrugBank KEGG MMDB PC cid PC sid PDB	J Am Chem Soc 128: 3524-5 (2006)
Farnesyl Diphosphate Synthase (FPPS) (Trypanosoma brucei)	BDBM12576 (Bisphosphonate 1 \| CHEMBL923 \| JMC515594 Compound ...)	GoogleScholar PDB	DrugBank KEGG MMDB PC cid PC sid PDB	-8.67	1.73	-10.4	6.36	8.5	26.9
University of Illinois at Urbana-Champaign		GoogleScholar PDB	DrugBank KEGG MMDB PC cid PC sid PDB	J Am Chem Soc 128: 3524-5 (2006)