null

SMILES: OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=ZWHKKFUMEGWCKH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50098386   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	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 pyrophosphate synthase (Homo sapiens (Human))	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/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	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+3	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50098386 ((1-hydroxy-1-phosphono-2-pyridin-4-yl-ethyl)-phosp...) Show SMILES OC(Cc1ccncc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair