Compile Data Set for Download or QSAR

Found 18 hits of ki for UniProtKB: P22513   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50345793 (2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...) Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50345793 (2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...) Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for bina...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438269 (CHEMBL2408381) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2ccc(Br)cc12 |r| Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-7-9(3-6)17(4-8(11(7)19)15(22)23)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438274 (CHEMBL2408382) Show SMILES Cc1ccc2c(c1)n(cc(C(O)=O)c2=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO7/c1-7-2-3-8-10(4-7)17(5-9(12(8)19)16(22)23)15-14(21)13(20)11(6-18)24-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438268 (CHEMBL2408383) Show SMILES COc1ccc2n(cc(C(O)=O)c(=O)c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO8/c1-24-7-2-3-10-8(4-7)12(19)9(16(22)23)5-17(10)15-14(21)13(20)11(6-18)25-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438273 (CHEMBL2408384) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Br)ccc12 |r| Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438272 (CHEMBL560455) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H14ClNO7/c16-6-1-2-9-7(3-6)11(19)8(15(22)23)4-17(9)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50345793 (2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...) Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50345793 (2-dodecyl-6-hydroxybenzoic acid | 6-dodecylsalicyl...) Show SMILES CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17(20)18(16)19(21)22/h12,14-15,20H,2-11,13H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for tern...				Bioorg Med Chem 16: 8889-95 (2008) Article DOI: 10.1016/j.bmc.2008.08.057 BindingDB Entry DOI: 10.7270/Q2474B6M
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438271 (CHEMBL2408385) Show SMILES Cc1ccc2n(cc(C(O)=O)c(=O)c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO7/c1-7-2-3-10-8(4-7)12(19)9(16(22)23)5-17(10)15-14(21)13(20)11(6-18)24-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438270 (CHEMBL2408386) Show SMILES COc1ccc2c(c1)n(cc(C(O)=O)c2=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO8/c1-24-7-2-3-8-10(4-7)17(5-9(12(8)19)16(22)23)15-14(21)13(20)11(6-18)25-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438270 (CHEMBL2408386) Show SMILES COc1ccc2c(c1)n(cc(C(O)=O)c2=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO8/c1-24-7-2-3-8-10(4-7)17(5-9(12(8)19)16(22)23)15-14(21)13(20)11(6-18)25-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438269 (CHEMBL2408381) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)c2ccc(Br)cc12 |r| Show InChI InChI=1S/C15H14BrNO7/c16-6-1-2-7-9(3-6)17(4-8(11(7)19)15(22)23)14-13(21)12(20)10(5-18)24-14/h1-4,10,12-14,18,20-21H,5H2,(H,22,23)/t10-,12-,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50438268 (CHEMBL2408383) Show SMILES COc1ccc2n(cc(C(O)=O)c(=O)c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H17NO8/c1-24-7-2-3-10-8(4-7)12(19)9(16(22)23)5-17(10)15-14(21)13(20)11(6-18)25-15/h2-5,11,13-15,18,20-21H,6H2,1H3,(H,22,23)/t11-,13-,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
da Universidade de S£o Paulo Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC method				Bioorg Med Chem Lett 23: 4597-601 (2013) Article DOI: 10.1016/j.bmcl.2013.06.029 BindingDB Entry DOI: 10.7270/Q2Q52R15
					More data for this Ligand-Target Pair