BindingDB PrimarySearch

BDBM50226002 (R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid::2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid::3-(3-Pyridyl)-2-hydroxy-2-phosphonopropanoic acid::CHEMBL397829

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

InChI Key: InChIKey=FJVYPXVLXQXDHM-UHFFFAOYSA-N

Data: 2 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50226002
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))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.10E+4	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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.75E+4	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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid 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 Southern California Curated by ChEMBL					Assay Description Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting				J Med Chem 53: 3454-64 (2010) Checked by Author Article DOI: 10.1021/jm900232u BindingDB Entry DOI: 10.7270/Q21837FJ
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.54E+5	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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of human cloned FPPS expressed in Escherichia col BL2 (DE3)				J Med Chem 50: 5967-75 (2007) Article DOI: 10.1021/jm0702884 BindingDB Entry DOI: 10.7270/Q27944DF
University of Southern California Curated by ChEMBL					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant FDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using GPP and [14C]IPP as substrate treated with enzym...				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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50226002 ((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...) Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.67E+5	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