Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'urbina' and Initial = 'ja'   

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
Squalene synthase (Trypanosoma cruzi)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi squalene synthase				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	500	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)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	600	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)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+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 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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+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 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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+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)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60E+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 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	Purchase 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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	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				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)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+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	Purchase 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	Purchase 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	Purchase 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)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	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 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
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	Purchase 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	Purchase 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)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(H2,10,11,12)(H2,13,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.06E+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
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	Purchase 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	Purchase 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
Squalene synthase (Homo sapiens (Human))	BDBM50208574 ((R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyr...) Show SMILES CO[C@H]1CN(C[C@H]1O)c1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:14.14,6.7,2.1,wD:14.15,(31.46,-29.1,;30.82,-27.7,;29.29,-27.55,;28.27,-28.7,;26.86,-28.09,;27.01,-26.56,;28.51,-26.22,;29.12,-24.81,;25.53,-28.87,;25.54,-30.41,;24.21,-31.19,;22.88,-30.42,;21.55,-31.2,;20.23,-31.98,;18.9,-32.75,;18.88,-31.21,;18.9,-34.3,;17.56,-35.07,;16.22,-34.3,;16.22,-32.75,;17.56,-31.97,;16.82,-33.33,;18.31,-33.74,;22.86,-28.9,;21.52,-28.14,;21.51,-26.6,;22.83,-25.83,;22.82,-24.29,;21.47,-23.53,;20.14,-24.32,;20.17,-25.86,;24.18,-28.11,)| Show InChI InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitolog£a y Biomedicina"L£pez-Neyra Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase				Antimicrob Agents Chemother 51: 2123-9 (2007) Article DOI: 10.1128/AAC.01454-06 BindingDB Entry DOI: 10.7270/Q2BC40DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Homo sapiens (Human))	BDBM50208577 ((R)-3-((2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl)...) Show SMILES COCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:12.11,wD:12.12,(8.54,-45.34,;7.2,-44.58,;5.87,-45.37,;4.53,-44.61,;3.21,-45.39,;1.87,-44.63,;.54,-45.41,;.55,-46.95,;-.78,-47.73,;-2.11,-46.96,;-3.44,-47.74,;-4.76,-48.52,;-6.09,-49.29,;-6.11,-47.75,;-6.09,-50.84,;-7.44,-51.61,;-8.77,-50.84,;-8.77,-49.29,;-7.44,-48.51,;-8.17,-49.87,;-6.68,-50.27,;-2.13,-45.43,;-3.47,-44.68,;-3.49,-43.14,;-2.16,-42.36,;-2.18,-40.83,;-3.52,-40.07,;-4.85,-40.86,;-4.83,-42.4,;-.81,-44.65,)| Show InChI InChI=1S/C25H30N2O3/c1-29-16-5-17-30-24-9-8-21(23(26-24)18-20-6-3-2-4-7-20)10-13-25(28)19-27-14-11-22(25)12-15-27/h2-4,6-9,22,28H,5,11-12,14-19H2,1H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitolog£a y Biomedicina"L£pez-Neyra Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase				Antimicrob Agents Chemother 51: 2123-9 (2007) Article DOI: 10.1128/AAC.01454-06 BindingDB Entry DOI: 10.7270/Q2BC40DD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene synthase (Leishmania major)	BDBM50208574 ((R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyr...) Show SMILES CO[C@H]1CN(C[C@H]1O)c1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:14.14,6.7,2.1,wD:14.15,(31.46,-29.1,;30.82,-27.7,;29.29,-27.55,;28.27,-28.7,;26.86,-28.09,;27.01,-26.56,;28.51,-26.22,;29.12,-24.81,;25.53,-28.87,;25.54,-30.41,;24.21,-31.19,;22.88,-30.42,;21.55,-31.2,;20.23,-31.98,;18.9,-32.75,;18.88,-31.21,;18.9,-34.3,;17.56,-35.07,;16.22,-34.3,;16.22,-32.75,;17.56,-31.97,;16.82,-33.33,;18.31,-33.74,;22.86,-28.9,;21.52,-28.14,;21.51,-26.6,;22.83,-25.83,;22.82,-24.29,;21.47,-23.53,;20.14,-24.32,;20.17,-25.86,;24.18,-28.11,)| Show InChI InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50208577 ((R)-3-((2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl)...) Show SMILES COCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 |r,wU:12.11,wD:12.12,(8.54,-45.34,;7.2,-44.58,;5.87,-45.37,;4.53,-44.61,;3.21,-45.39,;1.87,-44.63,;.54,-45.41,;.55,-46.95,;-.78,-47.73,;-2.11,-46.96,;-3.44,-47.74,;-4.76,-48.52,;-6.09,-49.29,;-6.11,-47.75,;-6.09,-50.84,;-7.44,-51.61,;-8.77,-50.84,;-8.77,-49.29,;-7.44,-48.51,;-8.17,-49.87,;-6.68,-50.27,;-2.13,-45.43,;-3.47,-44.68,;-3.49,-43.14,;-2.16,-42.36,;-2.18,-40.83,;-3.52,-40.07,;-4.85,-40.86,;-4.83,-42.4,;-.81,-44.65,)| Show InChI InChI=1S/C25H30N2O3/c1-29-16-5-17-30-24-9-8-21(23(26-24)18-20-6-3-2-4-7-20)10-13-25(28)19-27-14-11-22(25)12-15-27/h2-4,6-9,22,28H,5,11-12,14-19H2,1H3/t25-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Leishmania major)	BDBM50270321 (3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene ...) Show SMILES C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)| Show InChI InChI=1S/C20H21NO/c1-2-4-16(5-3-1)15-22-19-8-6-17(7-9-19)20-14-21-12-10-18(20)11-13-21/h1-9,14,18H,10-13,15H2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50098390 ((3-methylpyridin-2-ylamino)methylenediphosphonic a...) Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	112	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM12576 (Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
Squalene synthase (Leishmania major)	BDBM50208573 (3-[1'-{4'-(Ethoxycarbonyl)-phenyl}]-quinuclidine-2...) Show SMILES CCOC(=O)c1ccc(cc1)C1=CN2CCC1CC2 |t:12,(1.58,3.04,;.25,3.81,;-1.08,3.04,;-2.42,3.81,;-2.42,5.35,;-3.75,3.04,;-3.75,1.5,;-5.08,.73,;-6.41,1.5,;-6.42,3.04,;-5.09,3.81,;-7.75,.74,;-7.75,-.81,;-9.09,-1.58,;-10.42,-.81,;-10.42,.74,;-9.09,1.51,;-9.82,.15,;-8.34,-.25,)| Show InChI InChI=1S/C16H19NO2/c1-2-19-16(18)14-5-3-12(4-6-14)15-11-17-9-7-13(15)8-10-17/h3-6,11,13H,2,7-10H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50180147 ((cycloheptylamino-hydroxy-phosphono-methyl)-phosph...) Show SMILES OC(NC1CCCCCC1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)9-7-5-3-1-2-4-6-7/h7,9-10H,1-6H2,(H2,11,12,13)(H2,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	228	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
Squalene synthase (Homo sapiens (Human))	BDBM50270321 (3-[1'-{4'-(Benzyloxy)-phenyl}]-quinuclidine-2-ene ...) Show SMILES C(Oc1ccc(cc1)C1=CN2CCC1CC2)c1ccccc1 |t:9,(-1.9,-8.72,;-3.23,-7.95,;-4.56,-8.72,;-4.56,-10.26,;-5.9,-11.03,;-7.23,-10.25,;-7.23,-8.72,;-5.9,-7.95,;-8.56,-11.02,;-8.56,-12.57,;-9.9,-13.34,;-11.24,-12.57,;-11.24,-11.02,;-9.9,-10.24,;-10.64,-11.6,;-9.15,-12.01,;-.56,-7.95,;.76,-8.72,;2.1,-7.95,;2.1,-6.41,;.75,-5.64,;-.57,-6.42,)| Show InChI InChI=1S/C20H21NO/c1-2-4-16(5-3-1)15-22-19-8-6-17(7-9-19)20-14-21-12-10-18(20)11-13-21/h1-9,14,18H,10-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50375842 (CHEMBL261776) Show SMILES C(Oc1ccc(cc1)C#CC1=CN2CCC1CC2)c1ccccc1 |t:11,(2.7,-9.53,;1.36,-8.77,;.03,-9.55,;.04,-11.09,;-1.29,-11.87,;-2.63,-11.1,;-2.64,-9.56,;-1.31,-8.79,;-3.95,-11.88,;-5.29,-12.65,;-6.63,-13.42,;-6.63,-14.98,;-7.97,-15.75,;-9.3,-14.98,;-9.3,-13.42,;-7.97,-12.65,;-8.54,-13.59,;-8.54,-14.52,;2.71,-11.07,;1.38,-11.85,;1.39,-13.39,;2.73,-14.15,;4.06,-13.36,;4.05,-11.82,)| Show InChI InChI=1S/C22H21NO/c1-2-4-19(5-3-1)17-24-22-10-7-18(8-11-22)6-9-21-16-23-14-12-20(21)13-15-23/h1-5,7-8,10-11,16,20H,12-15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitolog£a y Biomedicina"L£pez-Neyra Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase				Antimicrob Agents Chemother 51: 2123-9 (2007) Article DOI: 10.1128/AAC.01454-06 BindingDB Entry DOI: 10.7270/Q2BC40DD
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50138041 (1-hydroxy-3-(methyl(2-phenoxyethyl)amino)propane-1...) Show SMILES CN(CCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO8P2/c1-13(9-10-21-11-5-3-2-4-6-11)8-7-12(14,22(15,16)17)23(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	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
Squalene synthase (Leishmania major)	BDBM50270302 (3-[7'-(Methoxy)-napht-2'-yl]-quinuclidine-2-ene | ...) Show SMILES COc1ccc2cc(ccc2c1)C1=CN2CCC1CC2 |t:14,(.63,-19.82,;-.71,-19.06,;-2.03,-19.84,;-3.38,-19.07,;-4.71,-19.85,;-4.7,-21.38,;-6.03,-22.15,;-6.03,-23.68,;-4.7,-24.46,;-3.36,-23.69,;-3.36,-22.15,;-2.03,-21.38,;-7.36,-24.45,;-7.36,-26,;-8.7,-26.77,;-10.03,-26,;-10.03,-24.45,;-8.7,-23.67,;-9.43,-25.03,;-7.95,-25.43,)| Show InChI InChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50269921 (3-[1'-{2'-(4''-Ethyl ethanoatephenyl)-ethynyl]-3-q...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(5.4,-7.52,;4.08,-8.3,;2.74,-7.54,;1.41,-8.32,;1.42,-9.86,;.07,-7.57,;-1.26,-8.35,;-1.25,-9.89,;-2.57,-10.66,;-3.91,-9.9,;-3.93,-8.37,;-2.61,-7.59,;-5.24,-10.68,;-6.56,-11.46,;-7.89,-12.23,;-7.91,-10.69,;-7.89,-13.78,;-9.23,-14.55,;-10.57,-13.78,;-10.57,-12.23,;-9.23,-11.46,;-9.97,-12.82,;-8.48,-13.22,)| Show InChI InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair
Phosphotransferase (Trypanosoma cruzi)	BDBM50173790 (2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...) Show SMILES OP(O)(=O)C(CNc1cccc(c1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)10-15-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50138049 ((4-heptylphenylamino)methylenediphosphonic acid | ...) Show SMILES CCCCCCCc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1 Show InChI InChI=1S/C14H25NO6P2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)15-14(22(16,17)18)23(19,20)21/h8-11,14-15H,2-7H2,1H3,(H2,16,17,18)(H2,19,20,21)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173787 ((3-(hydroxymethyl)phenylamino)methylenediphosphoni...) Show SMILES OCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C8H13NO7P2/c10-5-6-2-1-3-7(4-6)9-8(17(11,12)13)18(14,15)16/h1-4,8-10H,5H2,(H2,11,12,13)(H2,14,15,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173794 ((3',4'-difluorobiphenyl-3-ylamino)methylenediphosp...) Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccc(F)c(F)c1)P(O)(O)=O Show InChI InChI=1S/C13H13F2NO6P2/c14-11-5-4-9(7-12(11)15)8-2-1-3-10(6-8)16-13(23(17,18)19)24(20,21)22/h1-7,13,16H,(H2,17,18,19)(H2,20,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50180152 ((9-ethyl-9H-3-carbazolyl)-aminomethylene-1,1-bisph...) Show SMILES CCn1c2ccccc2c2cc(NC(P(O)(O)=O)P(O)(O)=O)ccc12 Show InChI InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50138040 ((biphenyl-3-ylamino)methylenediphosphonic acid | B...) Show SMILES OP(O)(=O)C(Nc1cccc(c1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H15NO6P2/c15-21(16,17)13(22(18,19)20)14-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173768 ((biphenyl-3-yl-hydroxy-phosphono-methyl)-phosphoni...) Show SMILES OC(c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H14O7P2/c14-13(21(15,16)17,22(18,19)20)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14H,(H2,15,16,17)(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173752 ((3-(methoxymethyl)phenylamino)methylenediphosphoni...) Show SMILES COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-17-6-7-3-2-4-8(5-7)10-9(18(11,12)13)19(14,15)16/h2-5,9-10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173796 (CHEMBL450938 | [(3-nitro-phenylamino)-phosphono-me...) Show SMILES OP(O)(=O)C(Nc1cccc(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H10N2O8P2/c10-9(11)6-3-1-2-5(4-6)8-7(18(12,13)14)19(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(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	950	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
Phosphotransferase (Trypanosoma cruzi)	BDBM50173799 ((3-bromo-phenyl)-aminomethylene-1,1-bisphosphonate...) Show SMILES OP(O)(=O)C(Nc1cccc(Br)c1)P(O)(O)=O Show InChI InChI=1S/C7H10BrNO6P2/c8-5-2-1-3-6(4-5)9-7(16(10,11)12)17(13,14)15/h1-4,7,9H,(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	950	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

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