Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'bode' and Initial = 'l'   

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
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396486 (CHEMBL2171113) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396521 (CHEMBL2170936) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2195 (SM36 | US8501787, 171) Show SMILES Cc1cccc2nc(c(NC3CCCC3)n12)-c1ccccc1Cl Show InChI InChI=1S/C19H20ClN3/c1-13-7-6-12-17-22-18(15-10-4-5-11-16(15)20)19(23(13)17)21-14-8-2-3-9-14/h4-7,10-12,14,21H,2-3,8-9H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2184 (SM30 | US8501787, 166) Show SMILES Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-18-23-19(16-11-5-6-12-17(16)21)20(24(14)18)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2184 (SM30 | US8501787, 166) Show SMILES Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-18-23-19(16-11-5-6-12-17(16)21)20(24(14)18)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396486 (CHEMBL2171113) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396489 (CHEMBL2170943) Show SMILES CCN1CCC[C@@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396521 (CHEMBL2170936) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(F)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-3-4-18(27)14-25-22(28)16-7-10-20-19(13-16)26-23(29)21(30-20)12-15-5-8-17(24)9-6-15/h5-10,12-13,18H,2-4,11,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396517 (CHEMBL2170940) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc4ccccc4c3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-13-5-8-22(30)17-28-26(31)21-11-12-24-23(16-21)29-27(32)25(33-24)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14-16,22H,2,5,8,13,17H2,1H3,(H,28,31)(H,29,32)/b25-15-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396488 (CHEMBL2170929) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1 Show InChI InChI=1S/C23H24ClN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396517 (CHEMBL2170940) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc4ccccc4c3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-13-5-8-22(30)17-28-26(31)21-11-12-24-23(16-21)29-27(32)25(33-24)15-18-9-10-19-6-3-4-7-20(19)14-18/h3-4,6-7,9-12,14-16,22H,2,5,8,13,17H2,1H3,(H,28,31)(H,29,32)/b25-15-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396515 (CHEMBL2170945) Show SMILES CCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C24H26FN3O2S/c1-2-11-28-12-5-7-18(28)15-26-23(29)17-9-10-21-20(13-17)27-24(30)22(31-21)14-16-6-3-4-8-19(16)25/h3-4,6,8-10,13-14,18H,2,5,7,11-12,15H2,1H3,(H,26,29)(H,27,30)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396488 (CHEMBL2170929) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3Cl)C(=O)Nc2c1 Show InChI InChI=1S/C23H24ClN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2173 (CW23836 | US8501787, 116) Show SMILES Clc1ccccc1-c1nc2cccc(C#N)n2c1NC1CCCCC1 Show InChI InChI=1S/C20H19ClN4/c21-17-11-5-4-10-16(17)19-20(23-14-7-2-1-3-8-14)25-15(13-22)9-6-12-18(25)24-19/h4-6,9-12,14,23H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2173 (CW23836 | US8501787, 116) Show SMILES Clc1ccccc1-c1nc2cccc(C#N)n2c1NC1CCCCC1 Show InChI InChI=1S/C20H19ClN4/c21-17-11-5-4-10-16(17)19-20(23-14-7-2-1-3-8-14)25-15(13-22)9-6-12-18(25)24-19/h4-6,9-12,14,23H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2172 (DG 402-49748 | US8501787, 104) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1 Show InChI InChI=1S/C19H19Cl2N3/c20-15-10-5-4-9-14(15)18-19(22-13-7-2-1-3-8-13)24-16(21)11-6-12-17(24)23-18/h4-6,9-13,22H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2172 (DG 402-49748 | US8501787, 104) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1 Show InChI InChI=1S/C19H19Cl2N3/c20-15-10-5-4-9-14(15)18-19(22-13-7-2-1-3-8-13)24-16(21)11-6-12-17(24)23-18/h4-6,9-13,22H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396520 (CHEMBL2170937) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-6-16(28)13-26-22(29)15-8-9-19-18(11-15)27-23(30)20(31-19)12-14-5-3-7-17(24)21(14)25/h3,5,7-9,11-12,16H,2,4,6,10,13H2,1H3,(H,26,29)(H,27,30)/b20-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396515 (CHEMBL2170945) Show SMILES CCCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C24H26FN3O2S/c1-2-11-28-12-5-7-18(28)15-26-23(29)17-9-10-21-20(13-17)27-24(30)22(31-21)14-16-6-3-4-8-19(16)25/h3-4,6,8-10,13-14,18H,2,5,7,11-12,15H2,1H3,(H,26,29)(H,27,30)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396518 (CHEMBL2170939) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc4ccccc34)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-14-6-10-21(30)17-28-26(31)20-12-13-24-23(15-20)29-27(32)25(33-24)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15-16,21H,2,6,10,14,17H2,1H3,(H,28,31)(H,29,32)/b25-16-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396518 (CHEMBL2170939) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc4ccccc34)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O2S/c1-2-30-14-6-10-21(30)17-28-26(31)20-12-13-24-23(15-20)29-27(32)25(33-24)16-19-9-5-8-18-7-3-4-11-22(18)19/h3-5,7-9,11-13,15-16,21H,2,6,10,14,17H2,1H3,(H,28,31)(H,29,32)/b25-16-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2115 (MLB133-641A | US8501787, 8) Show SMILES Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C19H20ClN3/c20-16-11-5-4-10-15(16)18-19(21-14-8-2-1-3-9-14)23-13-7-6-12-17(23)22-18/h4-7,10-14,21H,1-3,8-9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2115 (MLB133-641A | US8501787, 8) Show SMILES Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1 Show InChI InChI=1S/C19H20ClN3/c20-16-11-5-4-10-15(16)18-19(21-14-8-2-1-3-9-14)23-13-7-6-12-17(23)22-18/h4-7,10-14,21H,1-3,8-9H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396487 (CHEMBL2170930) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccc(C)cc3)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-4-5-19(27)15-25-23(28)18-10-11-21-20(14-18)26-24(29)22(30-21)13-17-8-6-16(2)7-9-17/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-13-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2116 (DG 402-49706 | US8501787, 42) Show SMILES Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1 Show InChI InChI=1S/C19H19BrClN3/c20-16-11-6-12-17-23-18(14-9-4-5-10-15(14)21)19(24(16)17)22-13-7-2-1-3-8-13/h4-6,9-13,22H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2116 (DG 402-49706 | US8501787, 42) Show SMILES Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1 Show InChI InChI=1S/C19H19BrClN3/c20-16-11-6-12-17-23-18(14-9-4-5-10-15(14)21)19(24(16)17)22-13-7-2-1-3-8-13/h4-6,9-13,22H,1-3,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396516 (CHEMBL2170944) Show SMILES CCN1CCC[C@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396513 (CHEMBL2171111) Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1 Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-	UniProtKB/TrEMBL 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
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396524 (CHEMBL2170933) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3C)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-6-9-19(27)15-25-23(28)18-10-11-21-20(13-18)26-24(29)22(30-21)14-17-8-5-4-7-16(17)2/h4-5,7-8,10-11,13-14,19H,3,6,9,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2126 (DG 402-49760 | US8501787, 48) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCC1 Show InChI InChI=1S/C18H17Cl2N3/c19-14-9-4-3-8-13(14)17-18(21-12-6-1-2-7-12)23-15(20)10-5-11-16(23)22-17/h3-5,8-12,21H,1-2,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2177 (SM27 | US8501787, 163) Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-11-12-18-23-19(16-9-5-6-10-17(16)21)20(24(18)13-14)22-15-7-3-2-4-8-15/h5-6,9-13,15,22H,2-4,7-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2177 (SM27 | US8501787, 163) Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-11-12-18-23-19(16-9-5-6-10-17(16)21)20(24(18)13-14)22-15-7-3-2-4-8-15/h5-6,9-13,15,22H,2-4,7-8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396520 (CHEMBL2170937) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-6-16(28)13-26-22(29)15-8-9-19-18(11-15)27-23(30)20(31-19)12-14-5-3-7-17(24)21(14)25/h3,5,7-9,11-12,16H,2,4,6,10,13H2,1H3,(H,26,29)(H,27,30)/b20-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396513 (CHEMBL2171111) Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1 Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396524 (CHEMBL2170933) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3C)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-6-9-19(27)15-25-23(28)18-10-11-21-20(13-18)26-24(29)22(30-21)14-17-8-5-4-7-16(17)2/h4-5,7-8,10-11,13-14,19H,3,6,9,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396516 (CHEMBL2170944) Show SMILES CCN1CCC[C@H]1CNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-11-5-7-17(27)14-25-22(28)16-9-10-20-19(12-16)26-23(29)21(30-20)13-15-6-3-4-8-18(15)24/h3-4,6,8-10,12-13,17H,2,5,7,11,14H2,1H3,(H,25,28)(H,26,29)/b21-13-/t17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM99893 (US8501767, 96) Show SMILES Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N Show InChI InChI=1S/C20H19ClN4/c21-17-9-5-4-8-16(17)19-20(23-15-6-2-1-3-7-15)25-13-14(12-22)10-11-18(25)24-19/h4-5,8-11,13,15,23H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM99893 (US8501767, 96) Show SMILES Clc1ccccc1-c1nc2ccc(cn2c1NC1CCCCC1)C#N Show InChI InChI=1S/C20H19ClN4/c21-17-9-5-4-8-16(17)19-20(23-15-6-2-1-3-7-15)25-13-14(12-22)10-11-18(25)24-19/h4-5,8-11,13,15,23H,1-3,6-7H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396508 (CHEMBL2170923) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C22H24FN3O2S/c1-3-26(4-2)12-11-24-21(27)16-9-10-19-18(13-16)25-22(28)20(29-19)14-15-7-5-6-8-17(15)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,27)(H,25,28)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50538823 (CHEMBL4649334) Show SMILES COc1ccc(-c2cncn2-c2ccc(Br)cc2)c(OC)c1 Show InChI InChI=1S/C17H15BrN2O2/c1-21-14-7-8-15(17(9-14)22-2)16-10-19-11-20(16)13-5-3-12(18)4-6-13/h3-11H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Witwatersrand Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115210 BindingDB Entry DOI: 10.7270/Q2348PZS
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM2182 (SM29 | US8501787, 165) Show SMILES Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-24-19(14)23-18(16-11-5-6-12-17(16)21)20(24)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR US Patent					Assay Description The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).				US Patent US8501767 (2013) BindingDB Entry DOI: 10.7270/Q2Z60MPS
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM2182 (SM29 | US8501787, 165) Show SMILES Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3/c1-14-8-7-13-24-19(14)23-18(16-11-5-6-12-17(16)21)20(24)22-15-9-3-2-4-10-15/h5-8,11-13,15,22H,2-4,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR Biosciences Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA				Bioorg Med Chem 19: 4227-37 (2011) Article DOI: 10.1016/j.bmc.2011.05.062 BindingDB Entry DOI: 10.7270/Q29K4F22
					More data for this Ligand-Target Pair

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