Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data   

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   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	3.60	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	46	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   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	195	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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 PubMed	n/a	n/a	20	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)
Farnesyl pyrophosphate synthase   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	25.4	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	479	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 pyrophosphate synthase   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	480	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   (348/348 = 100%)† (Homo sapiens (Human))	BDBM12577 (Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...) Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)	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	1.05E+3	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
					More data for this Ligand-Target Pair				3D Structure (crystal)

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