Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'odeh' and Initial = 's'   

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
D(4) dopamine receptor (RAT)	BDBM50329410 (CHEMBL1270323 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329412 (CHEMBL1270423 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N Show InChI InChI=1S/C19H20FN5O/c20-17-5-3-15(4-6-17)19(26)23-8-9-24-10-12-25(13-11-24)18-16(14-21)2-1-7-22-18/h1-7H,8-13H2,(H,23,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329407 (CHEMBL1270121 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N Show InChI InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329408 (CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329405 (CHEMBL1270013 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12 Show InChI InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329409 (CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...) Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50329413 (CHEMBL1270516 | N-[2-[4-(5-Chloropyridin-2-yl)pipe...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1 Show InChI InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50068366 (CHEMBL93403 | N-{2-[4-(4-Chloro-phenyl)-piperazin-...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25299 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9	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				3D Structure (crystal)
D(4) dopamine receptor (RAT)	BDBM50122028 (3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-b...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1 Show InChI InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	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
D(4) dopamine receptor (RAT)	BDBM50122044 (CHEMBL345111 | N-{2-[4-(5-Chloro-pyridin-2-yl)-pip...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1 Show InChI InChI=1S/C19H23ClN4O2/c1-26-17-4-2-3-15(13-17)19(25)21-7-8-23-9-11-24(12-10-23)18-6-5-16(20)14-22-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					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	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25310 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H3-,10,11,12,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165353 (CHEMBL373332 | hydrogen 2-(3-butylpyridinium-1-yl)...) Show SMILES CCCCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C11H19NO7P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(13,20(14,15)16)21(17,18)19/h4,6-8,13H,2-3,5,9H2,1H3,(H3-,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165352 (CHEMBL192043 | hydrogen 2-(3-ethylpyridinium-1-yl)...) Show SMILES CCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-2-8-4-3-5-10(6-8)7-9(11,18(12,13)14)19(15,16)17/h3-6,11H,2,7H2,1H3,(H3-,12,13,14,15,16,17)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165349 (CHEMBL363145 | hydrogen 1-hydroxy-2-(3-methoxypyri...) Show SMILES COc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO8P2/c1-17-7-3-2-4-9(5-7)6-8(10,18(11,12)13)19(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	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
D(4) dopamine receptor (RAT)	BDBM50329411 (CHEMBL1270422 | N-[2-[4-(4-Cyanophenyl)piperazin-1...) Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H21FN4O/c21-18-5-3-17(4-6-18)20(26)23-9-10-24-11-13-25(14-12-24)19-7-1-16(15-22)2-8-19/h1-8H,9-14H2,(H,23,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165342 (CHEMBL193356 | hydrogen 1-hydroxy-2-(3-methylpyrid...) Show SMILES Cc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO7P2/c1-7-3-2-4-9(5-7)6-8(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165340 (BPH-461 | CHEMBL193722 | hydrogen 2-(3-fluoropyrid...) Show SMILES OC(C[n+]1cccc(F)c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C7H10FNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	50	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				3D Structure (crystal)
D(4) dopamine receptor (RAT)	BDBM50329406 (CHEMBL1270120 | N-[2-[4-(4-Cyanophenyl)piperazin-1...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C21H24N4O2/c1-27-20-4-2-3-18(15-20)21(26)23-9-10-24-11-13-25(14-12-24)19-7-5-17(16-22)6-8-19/h2-8,15H,9-14H2,1H3,(H,23,26)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Bari A Moro Curated by ChEMBL					Assay Description Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting				J Med Chem 53: 7344-55 (2010) Article DOI: 10.1021/jm100925m BindingDB Entry DOI: 10.7270/Q28G8KX3
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165350 (CHEMBL192938 | hydrogen 1-hydroxy-2-[3-(3-methylbe...) Show SMILES Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1 Show InChI InChI=1S/C15H19NO7P2/c1-12-4-2-5-13(8-12)9-14-6-3-7-16(10-14)11-15(17,24(18,19)20)25(21,22)23/h2-8,10,17H,9,11H2,1H3,(H3-,18,19,20,21,22,23)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165351 (CHEMBL193619 | sodium hydrogen 1-hydroxy-2-[3-(4-o...) Show SMILES OC(C[n+]1cccc(c1)-c1ccc([O-])cc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO8P2/c15-12-5-3-10(4-6-12)11-2-1-7-14(8-11)9-13(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H4-,15,17,18,19,20,21,22)/p-1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165348 (CHEMBL425896 | hydrogen 1-hydroxy-2-isoquinolinium...) Show SMILES OC(C[n+]1ccc2ccccc2c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H13NO7P2/c13-11(20(14,15)16,21(17,18)19)8-12-6-5-9-3-1-2-4-10(9)7-12/h1-7,13H,8H2,(H3-,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25313 ((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...) Show SMILES NCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	95	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165338 (CHEMBL190258 | hydrogen 2-(4-benzylpyridinium-1-yl...) Show SMILES OC(C[n+]1ccc(Cc2ccccc2)cc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C14H17NO7P2/c16-14(23(17,18)19,24(20,21)22)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H3-,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165339 (CHEMBL363434 | hydrogen 2-(3-benzylpyridinium-1-yl...) Show SMILES OC(C[n+]1cccc(Cc2ccccc2)c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C14H17NO7P2/c16-14(23(17,18)19,24(20,21)22)11-15-8-4-7-13(10-15)9-12-5-2-1-3-6-12/h1-8,10,16H,9,11H2,(H3-,17,18,19,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM12581 ((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...) Show SMILES NCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50165341 (CHEMBL193131 | hydrogen 2-(6-chloroquinolinium-1-y...) Show SMILES OC(C[n+]1cccc2cc(Cl)ccc12)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H12ClNO7P2/c12-9-3-4-10-8(6-9)2-1-5-13(10)7-11(14,21(15,16)17)22(18,19)20/h1-6,14H,7H2,(H3-,15,16,17,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	380	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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25297 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	950	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
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
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
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
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)	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
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	Purchase 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)	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	1.45E+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 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)	BDBM50180150 (1-hydroxy-2-(4-phenylimidazol-1-yl)ethylidene-1,1-...) Show SMILES OC(Cn1cnc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C11H14N2O7P2/c14-11(21(15,16)17,22(18,19)20)7-13-6-10(12-8-13)9-4-2-1-3-5-9/h1-6,8,14H,7H2,(H2,15,16,17)(H2,18,19,20)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+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 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)	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	1.95E+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 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)	BDBM50180149 (3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)...) Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.29E+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 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)	BDBM50180153 (1-hydroxy-2-[3-(2,4-difluoro-5-methylphenyl)phenyl...) Show SMILES Cc1cc(c(F)cc1F)-c1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C15H16F2O7P2/c1-9-5-12(14(17)7-13(9)16)11-4-2-3-10(6-11)8-15(18,25(19,20)21)26(22,23)24/h2-7,18H,8H2,1H3,(H2,19,20,21)(H2,22,23,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+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 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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	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)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.37E+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)	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	2.40E+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 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)	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	2.75E+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 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)	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	2.75E+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 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)	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	3.47E+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 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)	BDBM50180148 (CHEMBL202878 | [4-fluoro-3-phenylphenylamino]methy...) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O Show InChI InChI=1S/C13H14FNO6P2/c14-12-7-6-10(8-11(12)9-4-2-1-3-5-9)15-13(22(16,17)18)23(19,20)21/h1-8,13,15H,(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	3.63E+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 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)	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	4.07E+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 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
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50173779 (2-(1,1'-biphenyl-3-yl)-1-[dihydroxy(oxido)-lambda~...) Show SMILES OP(O)(=O)C(Cc1cccc(c1)-c1ccccc1)S(O)(=O)=O Show InChI InChI=1S/C14H15O6PS/c15-21(16,17)14(22(18,19)20)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,15,16,17)(H,18,19,20)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+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 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

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