Compile Data Set for Download or QSAR

Found 180 hits with Last Name = 'kendrick' and Initial = 'h'   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091160 (CHEMBL106127 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H24Cl3N2S/c1-29(2,16-17-8-10-19(26)20(27)14-17)13-5-12-28-21-6-3-4-7-23(21)30-24-11-9-18(25)15-22(24)28/h3-4,6-11,14-15H,5,12-13,16H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
L-lactate dehydrogenase (Plasmodium falciparum)	BDBM23232 (1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...) Show SMILES OC(=O)c1no[nH]c1=O Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	210	-38.1	650	n/a	n/a	n/a	n/a	7.5	25
University of Bristol					Assay Description An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...				J Biol Chem 279: 31429-39 (2004) Article DOI: 10.1074/jbc.M402433200 BindingDB Entry DOI: 10.7270/Q2CR5RN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase (Plasmodium falciparum)	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	290	-37.3	140	n/a	n/a	n/a	n/a	7.5	25
University of Bristol					Assay Description An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...				J Biol Chem 279: 31429-39 (2004) Article DOI: 10.1074/jbc.M402433200 BindingDB Entry DOI: 10.7270/Q2CR5RN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase (Plasmodium falciparum)	BDBM23242 (1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...) Show SMILES OC(=O)c1co[nH]c1=O Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	470	-36.1	1.10E+3	n/a	n/a	n/a	n/a	7.5	25
University of Bristol					Assay Description An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...				J Biol Chem 279: 31429-39 (2004) Article DOI: 10.1074/jbc.M402433200 BindingDB Entry DOI: 10.7270/Q2CR5RN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091165 ((4-Benzyloxy-benzyl)-[3-(2-chloro-phenothiazin-10-...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C31H32ClN2OS/c1-34(2,22-24-13-16-27(17-14-24)35-23-25-9-4-3-5-10-25)20-8-19-33-28-11-6-7-12-30(28)36-31-18-15-26(32)21-29(31)33/h3-7,9-18,21H,8,19-20,22-23H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091158 (CHEMBL322826 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1C Show InChI InChI=1S/C26H30ClN2S/c1-19-10-11-21(16-20(19)2)18-29(3,4)15-7-14-28-23-8-5-6-9-25(23)30-26-13-12-22(27)17-24(26)28/h5-6,8-13,16-17H,7,14-15,18H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091148 (CHEMBL106769 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc34)cc(=O)oc2c1 Show InChI InChI=1S/C28H28ClN2O3S/c1-31(2,18-19-15-28(32)34-25-17-21(33-3)10-11-22(19)25)14-6-13-30-23-7-4-5-8-26(23)35-27-12-9-20(29)16-24(27)30/h4-5,7-12,15-17H,6,13-14,18H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091162 ((4-tert-Butyl-benzyl)-[3-(2-chloro-phenothiazin-10...) Show SMILES CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C28H34ClN2S/c1-28(2,3)22-13-11-21(12-14-22)20-31(4,5)18-8-17-30-24-9-6-7-10-26(24)32-27-16-15-23(29)19-25(27)30/h6-7,9-16,19H,8,17-18,20H2,1-5H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091163 (Benzhydryl-[3-(2-chloro-phenothiazin-10-yl)-propyl...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H30ClN2S/c1-33(2,30(23-12-5-3-6-13-23)24-14-7-4-8-15-24)21-11-20-32-26-16-9-10-17-28(26)34-29-19-18-25(31)22-27(29)32/h3-10,12-19,22,30H,11,20-21H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091154 (CHEMBL106901 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc(OC)c1 Show InChI InChI=1S/C26H30ClN2O2S/c1-29(2,18-19-14-21(30-3)17-22(15-19)31-4)13-7-12-28-23-8-5-6-9-25(23)32-26-11-10-20(27)16-24(26)28/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50019879 (CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091157 ((2-Adamantan-1-yl-2-oxo-ethyl)-[3-(2-chloro-phenot...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:27:28:32:25.26.31,THB:27:26:32:33.28.29,29:28:25:32.30.31,29:30:25:33.28.27| Show InChI InChI=1S/C29H36ClN2OS/c1-32(2,19-28(33)29-16-20-12-21(17-29)14-22(13-20)18-29)11-5-10-31-24-6-3-4-7-26(24)34-27-9-8-23(30)15-25(27)31/h3-4,6-9,15,20-22H,5,10-14,16-19H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091153 (Benzyl-[3-(2-chloro-phenothiazin-10-yl)-propyl]-di...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccccc1 Show InChI InChI=1S/C24H26ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h3-7,9-14,17H,8,15-16,18H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091159 (CHEMBL326458 | [2-(4-Chloro-3-methyl-phenyl)-2-oxo...) Show SMILES Cc1cc(ccc1Cl)C(=O)C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C26H27Cl2N2OS/c1-18-15-19(9-11-21(18)28)24(31)17-30(2,3)14-6-13-29-22-7-4-5-8-25(22)32-26-12-10-20(27)16-23(26)29/h4-5,7-12,15-16H,6,13-14,17H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091156 ((4-Bromo-benzyl)-[3-(2-chloro-phenothiazin-10-yl)-...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Br)cc1 Show InChI InChI=1S/C24H25BrClN2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091155 (CHEMBL323271 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H26ClN2S/c1-30(2,23-14-12-20-8-3-4-9-21(20)18-23)17-7-16-29-24-10-5-6-11-26(24)31-27-15-13-22(28)19-25(27)29/h3-6,8-15,18-19H,7,16-17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091164 (CHEMBL106236 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C24H21ClF5N2S/c1-32(2,13-15-20(26)22(28)24(30)23(29)21(15)27)11-5-10-31-16-6-3-4-7-18(16)33-19-9-8-14(25)12-17(19)31/h3-4,6-9,12H,5,10-11,13H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091149 ((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091150 (CHEMBL323540 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C25H28ClN2S/c1-19-9-11-20(12-10-19)18-28(2,3)16-6-15-27-22-7-4-5-8-24(22)29-25-14-13-21(26)17-23(25)27/h4-5,7-14,17H,6,15-16,18H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091152 (CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1 Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50091151 ((3-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1cccc(Cl)c1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-7-5-8-19(25)15-18)14-6-13-27-21-9-3-4-10-23(21)29-24-12-11-20(26)16-22(24)27/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50369578 (CHEMBL239370) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C24H25ClN3O2S/c1-28(2,17-18-8-11-20(12-9-18)27(29)30)15-5-14-26-21-6-3-4-7-23(21)31-24-13-10-19(25)16-22(24)26/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50091152 (CHEMBL106108 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)CC1CCCCC1 Show InChI InChI=1S/C24H32ClN2S/c1-27(2,18-19-9-4-3-5-10-19)16-8-15-26-21-11-6-7-12-23(21)28-24-14-13-20(25)17-22(24)26/h6-7,11-14,17,19H,3-5,8-10,15-16,18H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Human Erythrocyte glutathione reductase (GR).				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50091149 ((4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)...) Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H25Cl2N2S/c1-28(2,17-18-8-10-19(25)11-9-18)15-5-14-27-21-6-3-4-7-23(21)29-24-13-12-20(26)16-22(24)27/h3-4,6-13,16H,5,14-15,17H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Human Erythrocyte glutathione reductase (GR).				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50067584 ((S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-bip...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM16182 ((2S)-2-[(4-{[(1H-imidazol-4-ylmethyl)amino]methyl}...) Show SMILES CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O |r| Show InChI InChI=1S/C24H28N4O3S/c1-16-5-3-4-6-19(16)21-11-17(12-25-13-18-14-26-15-27-18)7-8-20(21)23(29)28-22(24(30)31)9-10-32-2/h3-8,11,14-15,22,25H,9-10,12-13H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50097809 ((S)-2-[(5-{[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmet...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C30H29N5O3S/c1-39-14-13-28(30(37)38)34-29(36)26-12-11-24(15-27(26)23-5-3-2-4-6-23)33-18-25-17-32-20-35(25)19-22-9-7-21(16-31)8-10-22/h2-12,15,17,20,28,33H,13-14,18-19H2,1H3,(H,34,36)(H,37,38)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Mus musculus)	BDBM50097814 ((S)-2-[(5-{[(1H-Imidazol-4-ylmethyl)-amino]-methyl...) Show SMILES COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C Show InChI InChI=1S/C25H30N4O3S/c1-17-6-4-5-7-20(17)22-12-18(13-26-14-19-15-27-16-28-19)8-9-21(22)24(30)29-23(10-11-33-3)25(31)32-2/h4-9,12,15-16,23,26H,10-11,13-14H2,1-3H3,(H,27,28)(H,29,30)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian H-Ras processing in NIH 3T3 cells				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50097817 ((S)-2-({5-[(3-Cyclohexylmethyl-3H-imidazol-4-ylmet...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NCc2cncn2CC2CCCCC2)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C29H36N4O3S/c1-37-15-14-27(29(35)36)32-28(34)25-13-12-23(16-26(25)22-10-6-3-7-11-22)31-18-24-17-30-20-33(24)19-21-8-4-2-5-9-21/h3,6-7,10-13,16-17,20-21,27,31H,2,4-5,8-9,14-15,18-19H2,1H3,(H,32,34)(H,35,36)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					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	n/a	n/a	110	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50135818 ((pyridin-3-ylamino)methylenediphosphonic acid | 3-...) Show SMILES OP(O)(=O)C(Nc1cccnc1)P(O)(O)=O Show InChI InChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-2-1-3-7-4-5/h1-4,6,8H,(H2,9,10,11)(H2,12,13,14)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50115115 ((Cyclohexylamino-phosphono-methyl)-phosphonic acid...) Show SMILES OP(O)(O)C(=NC1CCCCC1)P(O)(O)=O |w:5.5| Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6,9-11,15H,1-5H2,(H2,12,13,14)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50115106 (2-(pyridin-2-ylamino)ethane-1,1-diyldiphosphonic a...) Show SMILES OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O Show InChI InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL 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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Mus musculus)	BDBM16182 ((2S)-2-[(4-{[(1H-imidazol-4-ylmethyl)amino]methyl}...) Show SMILES CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O |r| Show InChI InChI=1S/C24H28N4O3S/c1-16-5-3-4-6-19(16)21-11-17(12-25-13-18-14-26-15-27-18)7-8-20(21)23(29)28-22(24(30)31)9-10-32-2/h3-8,11,14-15,22,25H,9-10,12-13H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian H-Ras processing in NIH 3T3 cells				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50097813 (5-{[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-ami...) Show SMILES O=C(NCCC#N)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1-c1ccccc1 Show InChI InChI=1S/C28H24N6O/c29-13-4-14-32-28(35)26-12-11-24(15-27(26)23-5-2-1-3-6-23)33-18-25-17-31-20-34(25)19-22-9-7-21(16-30)8-10-22/h1-3,5-12,15,17,20,33H,4,14,18-19H2,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50115109 ((5-chloropyridin-2-ylamino)methylenediphosphonic a...) Show SMILES OP(O)(=O)C(Nc1ccc(Cl)cn1)P(O)(O)=O Show InChI InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	240	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 Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50135839 (CHEMBL55464 | [1-Hydroxy-3-(4-phenyl-butylamino)-1...) Show SMILES OC(CCNCCCCc1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H23NO7P2/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50097810 ((S)-2-({5-[(3-Biphenyl-4-ylmethyl-3H-imidazol-4-yl...) Show SMILES CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(cc2)-c2ccccc2)cc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C35H34N4O3S/c1-43-19-18-33(35(41)42)38-34(40)31-17-16-29(20-32(31)28-10-6-3-7-11-28)37-22-30-21-36-24-39(30)23-25-12-14-27(15-13-25)26-8-4-2-5-9-26/h2-17,20-21,24,33,37H,18-19,22-23H2,1H3,(H,38,40)(H,41,42)/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50117260 (1-hydroxy-3-(methyl(phenethyl)amino)propane-1,1-di...) Show SMILES CN(CCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H21NO7P2/c1-13(9-7-11-5-3-2-4-6-11)10-8-12(14,21(15,16)17)22(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	310	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50115110 ((Pentylamino-phosphono-methyl)-phosphonic acid | (...) Show SMILES CCCCCN=C(P(O)(O)O)P(O)(O)=O |w:5.4| Show InChI InChI=1S/C6H17NO6P2/c1-2-3-4-5-7-6(14(8,9)10)15(11,12)13/h8-10,14H,2-5H2,1H3,(H2,11,12,13)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50135833 ((2-methylbutyl)aminomethylene-1,1-bisphosphonate |...) Show SMILES CCC(C)CN=C(P(O)(O)O)P(O)(O)=O |w:5.4| Show InChI InChI=1S/C6H17NO6P2/c1-3-5(2)4-7-6(14(8,9)10)15(11,12)13/h5,8-10,14H,3-4H2,1-2H3,(H2,11,12,13)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50097811 (5-{[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-ami...) Show SMILES CC(C)NC(=O)c1ccc(NCc2cncn2Cc2ccc(cc2)C#N)cc1-c1ccccc1 Show InChI InChI=1S/C28H27N5O/c1-20(2)32-28(34)26-13-12-24(14-27(26)23-6-4-3-5-7-23)31-17-25-16-30-19-33(25)18-22-10-8-21(15-29)9-11-22/h3-14,16,19-20,31H,17-18H2,1-2H3,(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of mammalian Farnesyltransferase				Bioorg Med Chem Lett 11: 761-4 (2001) BindingDB Entry DOI: 10.7270/Q26W99CH
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50135835 ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) Show SMILES OP(O)(=O)C(Nc1nccc2ccccc12)P(O)(O)=O Show InChI InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	430	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					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	450	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50138039 (CHEMBL55988 | [3-(Cyclohexyl-methyl-amino)-1-hydro...) Show SMILES CN(CCC(O)(P(O)(O)=O)P(O)(O)=O)C1CCCCC1 Show InChI InChI=1S/C10H23NO7P2/c1-11(9-5-3-2-4-6-9)8-7-10(12,19(13,14)15)20(16,17)18/h9,12H,2-8H2,1H3,(H2,13,14,15)(H2,16,17,18)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM25290 (CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...) Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	490	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50117257 (1-hydroxy-3-(methyl(3-phenylpropyl)amino)propane-1...) Show SMILES CN(CCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C13H23NO7P2/c1-14(10-5-8-12-6-3-2-4-7-12)11-9-13(15,22(16,17)18)23(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair
Polyprenyl synthetase family protein (Plasmodium falciparum (isolate 3D7))	BDBM50135824 ((Bis-phosphono-methyl)-cyclopentyl-ammonium | (Cyc...) Show SMILES OP(O)(O)C(=NC1CCCC1)P(O)(O)=O |w:5.5| Show InChI InChI=1S/C6H15NO6P2/c8-14(9,10)6(15(11,12)13)7-5-3-1-2-4-5/h5,8-10,14H,1-4H2,(H2,11,12,13)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair

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