Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'prokop' and Initial = 'm'   

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
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50377988 (CHEMBL552521) Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2ccc(cc2)C(N)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C39H40N8O15P2/c1-57-25-10-5-8-23(16-25)36(52)45-28-30(48)27(18-58-63(53,54)62-64(55,56)61-39-32(50)31(49)38(60-39)46-14-12-22(13-15-46)33(40)51)59-37(28)47-20-44-29-34(42-19-43-35(29)47)41-17-24-9-4-7-21-6-2-3-11-26(21)24/h2-16,19-20,27-28,30-32,37-39,48-50H,17-18H2,1H3,(H5-,40,41,42,43,45,51,52,53,54,55,56)/p+1/t27-,28-,30-,31-,32+,37-,38-,39-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319770 (US10174013, Example 1AE) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCCCC(N)C1 Show InChI InChI=1S/C15H19Br2N5O2/c1-2-21-11-7-10(16)12(17)14(22(23)24)13(11)19-15(21)20-6-4-3-5-9(18)8-20/h7,9H,2-6,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319772 (US10174013, Example 1AI) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-4-8(17)7-19/h6,8H,2-5,7,17H2,1H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319757 (US10174013, Example 1M) Show SMILES CCCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C14H17Br2N5O2/c1-2-5-20-10-8-9(15)11(16)13(21(22)23)12(10)18-14(20)19-6-3-17-4-7-19/h8,17H,2-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319786 (US10174013, Example 1BM) Show SMILES CC(C)n1c(nc2c(C#N)c(Br)c(Br)cc12)N1CCOC(CN)C1 Show InChI InChI=1S/C16H19Br2N5O/c1-9(2)23-13-5-12(17)14(18)11(7-20)15(13)21-16(23)22-3-4-24-10(6-19)8-22/h5,9-10H,3-4,6,8,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319753 (US10174013, Example 8A) Show SMILES CCn1c(nc2c(C#N)c(Br)c(Br)cc12)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C19H23Br2N5O2/c1-5-26-14-10-13(20)15(21)12(11-22)16(14)23-17(26)24-6-8-25(9-7-24)18(27)28-19(2,3)4/h10H,5-9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319755 (US10174013, Example 22A | US10174013, Example 22AB...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1 Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319779 (US10174013, Example 1AX) Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC[C@H]1C |r| Show InChI InChI=1S/C15H19Br2N5O2/c1-8(2)21-11-6-10(16)12(17)14(22(23)24)13(11)19-15(21)20-5-4-18-7-9(20)3/h6,8-9,18H,4-5,7H2,1-3H3/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319758 (US10174013, Example 1N) Show SMILES CC(C)Cn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C15H19Br2N5O2/c1-9(2)8-21-11-7-10(16)12(17)14(22(23)24)13(11)19-15(21)20-5-3-18-4-6-20/h7,9,18H,3-6,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319769 (US10174013, Example 1AD) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1C Show InChI InChI=1S/C14H17Br2N5O2/c1-3-19-10-6-9(15)11(16)13(21(22)23)12(10)18-14(19)20-5-4-17-7-8(20)2/h6,8,17H,3-5,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319774 (US10174013, Example 1AM) Show SMILES CCn1c(NCC2CCCN2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)19-14(20)18-7-8-4-3-5-17-8/h6,8,17H,2-5,7H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319752 (US10174013, Example 1A | US10174013, Example 1X | ...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319759 (US10174013, Example 2A | US10174013, Example 2C | ...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C16H19Br2N5O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)14-19-10-8-9(17)11(18)13(23(25)26)12(10)20-14/h8H,4-7H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319755 (US10174013, Example 22A | US10174013, Example 22AB...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1 Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319775 (US10174013, Example 1AP) Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@H](N)C1 |r| Show InChI InChI=1S/C15H19Br2N5O2/c1-8(2)21-11-6-10(16)12(17)14(22(23)24)13(11)19-15(21)20-5-3-4-9(18)7-20/h6,8-9H,3-5,7,18H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319768 (US10174013, Example 1AC) Show SMILES CC(C)Cn1c(NC2CCCNCC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C17H23Br2N5O2/c1-10(2)9-23-13-8-12(18)14(19)16(24(25)26)15(13)22-17(23)21-11-4-3-6-20-7-5-11/h8,10-11,20H,3-7,9H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319776 (US10174013, Example 1AQ) Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCOC(CN)C1 Show InChI InChI=1S/C15H19Br2N5O3/c1-8(2)21-11-5-10(16)12(17)14(22(23)24)13(11)19-15(21)20-3-4-25-9(6-18)7-20/h5,8-9H,3-4,6-7,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319760 (US10174013, Example 1P) Show SMILES CCCn1c(NCCCN)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C13H17Br2N5O2/c1-2-6-19-9-7-8(14)10(15)12(20(21)22)11(9)18-13(19)17-5-3-4-16/h7H,2-6,16H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319781 (US10174013, Example 1AZ) Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CC[C@H](N)C1 |r| Show InChI InChI=1S/C14H17Br2N5O2/c1-7(2)20-10-5-9(15)11(16)13(21(22)23)12(10)18-14(20)19-4-3-8(17)6-19/h5,7-8H,3-4,6,17H2,1-2H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319755 (US10174013, Example 22A | US10174013, Example 22AB...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1 Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319765 (US10174013, Example 1AA) Show SMILES CCn1c(N[C@H]2CCCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O |r| Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)19-14(20)18-8-4-3-5-17-7-8/h6,8,17H,2-5,7H2,1H3,(H,18,19)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319773 (US10174013, Example 1AL) Show SMILES CCn1c(NCCN)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C11H13Br2N5O2/c1-2-17-7-5-6(12)8(13)10(18(19)20)9(7)16-11(17)15-4-3-14/h5H,2-4,14H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319759 (US10174013, Example 2A | US10174013, Example 2C | ...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C16H19Br2N5O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)14-19-10-8-9(17)11(18)13(23(25)26)12(10)20-14/h8H,4-7H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319759 (US10174013, Example 2A | US10174013, Example 2C | ...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C16H19Br2N5O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)14-19-10-8-9(17)11(18)13(23(25)26)12(10)20-14/h8H,4-7H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319780 (US10174013, Example 1AY) Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C14H17Br2N5O2/c1-7(2)20-10-5-9(15)11(16)13(21(22)23)12(10)18-14(20)19-4-3-8(17)6-19/h5,7-8H,3-4,6,17H2,1-2H3/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319777 (US10174013, Example 1AR) Show SMILES CC(C)n1c(NCC2CNCCO2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C15H19Br2N5O3/c1-8(2)21-11-5-10(16)12(17)14(22(23)24)13(11)20-15(21)19-7-9-6-18-3-4-25-9/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319784 (US10174013, Example 1BD) Show SMILES CC(C)n1c(N[C@H]2CCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O |r| Show InChI InChI=1S/C14H17Br2N5O2/c1-7(2)20-10-5-9(15)11(16)13(21(22)23)12(10)19-14(20)18-8-3-4-17-6-8/h5,7-8,17H,3-4,6H2,1-2H3,(H,18,19)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319771 (US10174013, Example 1AH) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@H](N)C1 |r| Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-4-8(17)7-19/h6,8H,2-5,7,17H2,1H3/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50096598 (((2R,3S,4R,5R)-3-hydroxy-4-(3-methoxybenzamido)-5-...) Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H29N6O8P/c1-41-20-10-5-8-18(12-20)28(37)34-23-25(36)22(14-42-44(38,39)40)43-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36H,13-14H2,1H3,(H,34,37)(H,30,31,32)(H2,38,39,40)/t22-,23-,25-,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319783 (US10174013, Example 1BI) Show SMILES CC(C)n1c(nc2c(C#N)c(Br)c(Br)cc12)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C15H17Br2N5/c1-8(2)22-12-5-11(16)13(17)10(6-18)14(12)20-15(22)21-4-3-9(19)7-21/h5,8-9H,3-4,7,19H2,1-2H3/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319778 (US10174013, Example 1AS) Show SMILES CC(C)n1c(N[C@@H]2CCCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O |r| Show InChI InChI=1S/C15H19Br2N5O2/c1-8(2)21-11-6-10(16)12(17)14(22(23)24)13(11)20-15(21)19-9-4-3-5-18-7-9/h6,8-9,18H,3-5,7H2,1-2H3,(H,19,20)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319767 (US10174013, Example 1AB) Show SMILES NCCCNc1nc2c(c(Br)c(Br)cc2n1CC1CC1)[N+]([O-])=O Show InChI InChI=1S/C14H17Br2N5O2/c15-9-6-10-12(13(11(9)16)21(22)23)19-14(18-5-1-4-17)20(10)7-8-2-3-8/h6,8H,1-5,7,17H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319755 (US10174013, Example 22A | US10174013, Example 22AB...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1 Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319755 (US10174013, Example 22A | US10174013, Example 22AB...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1 Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50096600 (CHEMBL464924 | N-((2R,3R,4S,5R)-4-Hydroxy-5-hydrox...) Show SMILES COc1cccc(c1)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C29H28N6O5/c1-39-20-10-5-8-18(12-20)28(38)34-23-25(37)22(14-36)40-29(23)35-16-33-24-26(31-15-32-27(24)35)30-13-19-9-4-7-17-6-2-3-11-21(17)19/h2-12,15-16,22-23,25,29,36-37H,13-14H2,1H3,(H,34,38)(H,30,31,32)/t22-,23-,25-,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319752 (US10174013, Example 1A | US10174013, Example 1X | ...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50198762 (4-(6,7-diacetoxy-2-oxo-2H-chromen-3-yl)-1,2-phenyl...) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)-c1cc2cc(OC(C)=O)c(OC(C)=O)cc2oc1=O Show InChI InChI=1S/C23H18O10/c1-11(24)29-18-6-5-15(8-20(18)30-12(2)25)17-7-16-9-21(31-13(3)26)22(32-14(4)27)10-19(16)33-23(17)28/h5-10H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM319752 (US10174013, Example 1A | US10174013, Example 1X | ...) Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1 Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
SELVITA S.A. US Patent					Assay Description The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...				US Patent US10174013 (2019) BindingDB Entry DOI: 10.7270/Q2QR5069
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50248616 ((8E,11E,14E)-Anacardic acid | CHEMBL464925) 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	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50241244 ((E)-((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydrox...) Show SMILES O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)cc2)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:7.6| Show InChI InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-33,36-39H,13H2/t21-,24-,26+,27-,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50240591 ((R)-6-(1,1-Dimethyl-allyl)-2-(1-hydroxy-1-methyl-e...) Show SMILES CC(C)(O)[C@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C |r| Show InChI InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50248617 ((8E,11E)-Anacardic acid | CHEMBL465536) Show SMILES CCC\C=C\C\C=C\CCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C22H32O3/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/h4-5,7-8,15,17-18,23H,2-3,6,9-14,16H2,1H3,(H,24,25)/b5-4+,8-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50249049 (6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chrome...) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C20H20O7/c1-22-16-8-12-13(21)9-14(27-15(12)10-17(16)23-2)11-6-18(24-3)20(26-5)19(7-11)25-4/h6-10H,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50241529 (7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-chromen...) Show SMILES COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O Show InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50248650 (CHEMBL464507 | Guajaverin) Show SMILES O[C@H]1CO[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-23,25-28H,6H2/t12-,15-,17+,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50242207 (CHEMBL455364 | Mangiferin) Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50241272 ((8E)-Anacardic acid | 6-(8'E-pentadecaenyl)salicyl...) Show SMILES CCCCCC\C=C\CCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C22H34O3/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/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM50174558 (7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...) Show SMILES Oc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Trypanosoma cruzi)	BDBM12342 (2H-chromen-2-one | CHEMBL6466 | Coumarin) Show SMILES O=c1ccc2ccccc2o1 Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry				Bioorg Med Chem 17: 2476-82 (2009) Article DOI: 10.1016/j.bmc.2009.01.079 BindingDB Entry DOI: 10.7270/Q2BC40FV
					More data for this Ligand-Target Pair

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