Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'freundlich' and Initial = 'js'   

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
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50174768 (5‐chloro‐2‐(2‐chloro‐...) Show SMILES Oc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C12H8Cl2O3/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,15-16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM25407 (2‐(2,4‐dichlorophenoxy)‐5‐...) Show SMILES CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C14H12Cl2O2/c1-2-9-3-5-14(12(17)7-9)18-13-6-4-10(15)8-11(13)16/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50174760 (2‐[4‐(benzylamino)‐2‐chlor...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C19H15Cl2NO2/c20-14-6-8-19(17(23)10-14)24-18-9-7-15(11-16(18)21)22-12-13-4-2-1-3-5-13/h1-11,22-23H,12H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50174774 (2‐({[3‐chloro‐4‐(4‐c...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-5-7-20(18(25)9-15)26-19-8-6-16(10-17(19)22)24-12-14-4-2-1-3-13(14)11-23/h1-10,24-25H,12H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119865 (6‐chloro‐3‐(2,4‐dichloroph...) Show SMILES Oc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1C#N Show InChI InChI=1S/C13H6Cl3NO2/c14-7-1-3-11(10(16)5-7)19-12-4-2-9(15)8(6-17)13(12)18/h1-5,18H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50435717 (CHEMBL2392450 | N‐{[4‐(2,4‐dichl...) Show SMILES Cc1cc(no1)C(=O)NCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-17(15(23)7-11)25-16-5-3-12(19)8-13(16)20/h2-8,23H,9H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119866 (3‐chloro‐6‐(2,4‐dichloroph...) Show SMILES OCc1c(O)c(Oc2ccc(Cl)cc2Cl)ccc1Cl Show InChI InChI=1S/C13H9Cl3O3/c14-7-1-3-11(10(16)5-7)19-12-4-2-9(15)8(6-17)13(12)18/h1-5,17-18H,6H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM25403 (4‐(2,4‐dichlorophenoxy)‐3‐...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119867 (5‐chloro‐2‐[2‐chloro‐...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cn2ccnn2)cc1Cl Show InChI InChI=1S/C15H11Cl2N3O2/c16-11-2-4-15(13(21)8-11)22-14-3-1-10(7-12(14)17)9-20-6-5-18-19-20/h1-8,21H,9H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50431922 (5‐chloro‐2‐[2‐chloro‐...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C13H7Cl2F3O2/c14-8-2-4-12(10(19)6-8)20-11-3-1-7(5-9(11)15)13(16,17)18/h1-6,19H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119869 (5‐chloro‐2‐{2‐chloro‐...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(CNc2ccccc2)cc1Cl Show InChI InChI=1S/C19H15Cl2NO2/c20-14-7-9-19(17(23)11-14)24-18-8-6-13(10-16(18)21)12-22-15-4-2-1-3-5-15/h1-11,22-23H,12H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119870 (N‐{[3‐chloro‐4‐(4‐ch...) Show SMILES Cc1cc(CC(=O)NCc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)on1 Show InChI InChI=1S/C19H16Cl2N2O4/c1-11-6-14(27-23-11)9-19(25)22-10-12-2-4-17(15(21)7-12)26-18-5-3-13(20)8-16(18)24/h2-8,24H,9-10H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25418 (2-(2,4-dichlorophenoxy)-5-(4-fluorophenyl)phenol |...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccc(F)cc1 Show InChI InChI=1S/C18H11Cl2FO2/c19-13-4-8-17(15(20)10-13)23-18-7-3-12(9-16(18)22)11-1-5-14(21)6-2-11/h1-10,22H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50431923 (5‐chloro‐2‐(naphthalen‐2&#...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc2ccccc2c1 Show InChI InChI=1S/C16H11ClO2/c17-13-6-8-16(15(18)10-13)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,18H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119868 (2‐{4‐[(4‐butyl‐1,2,3‐...) Show SMILES CCCCc1cn(Cc2ccc(Oc3ccc(Cl)cc3O)c(Cl)c2)nn1 Show InChI InChI=1S/C19H19Cl2N3O2/c1-2-3-4-15-12-24(23-22-15)11-13-5-7-18(16(21)9-13)26-19-8-6-14(20)10-17(19)25/h5-10,12,25H,2-4,11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25403 (4‐(2,4‐dichlorophenoxy)‐3‐...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-6,17H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174772 (CHEMBL200658 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES CC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2NO3/c1-8(18)17-10-3-5-13(11(16)7-10)20-14-4-2-9(15)6-12(14)19/h2-7,19H,1H3,(H,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM50431920 (5‐(4‐chloro‐2‐hydroxypheno...) Show SMILES Cc1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)no1 Show InChI InChI=1S/C15H11ClN2O5/c1-8-6-13(18-23-8)17-15(20)12-4-5-14(22-12)21-11-3-2-9(16)7-10(11)19/h2-7,19H,1H3,(H,17,18,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25419 (5-benzyl-2-(2,4-dichlorophenoxy)phenol | Triclosan...) Show SMILES Oc1cc(Cc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H14Cl2O2/c20-15-7-9-18(16(21)12-15)23-19-8-6-14(11-17(19)22)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum ENR enzymatic activity				Bioorg Med Chem Lett 16: 2163-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.051 BindingDB Entry DOI: 10.7270/Q2154GNG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25420 (2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol | ...) Show SMILES Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-acyl carrier reductase ENR (Toxoplasma gondii)	BDBM119871 (N‐{[3‐chloro‐4‐(4‐ch...) Show SMILES Cc1cc(no1)C(=O)NCc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C18H14Cl2N2O4/c1-10-6-14(22-26-10)18(24)21-9-11-2-4-16(13(20)7-11)25-17-5-3-12(19)8-15(17)23/h2-8,23H,9H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	n/a
Johns Hopkins Bloomberg School of Public Health					Assay Description The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...				Biochemistry 52: 9155-66 (2013) Article DOI: 10.1021/bi400945y BindingDB Entry DOI: 10.7270/Q2PV6J27
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25407 (2‐(2,4‐dichlorophenoxy)‐5‐...) Show SMILES CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C14H12Cl2O2/c1-2-9-3-5-14(12(17)7-9)18-13-6-4-10(15)8-11(13)16/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174775 (3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzonitrile...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C#N Show InChI InChI=1S/C13H7Cl2NO2/c14-9-2-4-13(11(17)6-9)18-12-3-1-8(7-16)5-10(12)15/h1-6,17H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25412 (2-(2,4-dichlorophenoxy)-5-(3-methylbutyl)phenol | ...) Show SMILES CC(C)CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C17H18Cl2O2/c1-11(2)3-4-12-5-7-17(15(20)9-12)21-16-8-6-13(18)10-14(16)19/h5-11,20H,3-4H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174766 (3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide | ...) Show SMILES NC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C13H9Cl2NO3/c14-8-2-4-12(10(17)6-8)19-11-3-1-7(13(16)18)5-9(11)15/h1-6,17H,(H2,16,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM592137 (US11572337, Compound 0MTK149) Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccccc3)cc2)c(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PZ5DR6
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25402 (2-(2,4-dichlorophenoxy)-5-phenylphenol | Triclosan...) Show SMILES Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccccc1 Show InChI InChI=1S/C18H12Cl2O2/c19-14-7-9-17(15(20)11-14)22-18-8-6-13(10-16(18)21)12-4-2-1-3-5-12/h1-11,21H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174769 (CHEMBL198781 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1Cl Show InChI InChI=1S/C13H8Cl2F3NO4S/c14-7-1-3-12(10(20)5-7)23-11-4-2-8(6-9(11)15)19-24(21,22)13(16,17)18/h1-6,19-20H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174760 (2‐[4‐(benzylamino)‐2‐chlor...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C19H15Cl2NO2/c20-14-6-8-19(17(23)10-14)24-18-9-7-15(11-16(18)21)22-12-13-4-2-1-3-5-13/h1-11,22-23H,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174778 (1-(3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)ur...) Show SMILES NC(=O)Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C13H10Cl2N2O3/c14-7-1-3-12(10(18)5-7)20-11-4-2-8(6-9(11)15)17-13(16)19/h1-6,18H,(H3,16,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174776 (CHEMBL200871 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NC(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C19H13Cl2NO3/c20-13-6-8-18(16(23)10-13)25-17-9-7-14(11-15(17)21)22-19(24)12-4-2-1-3-5-12/h1-11,23H,(H,22,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25410 (2-(2,4-dichlorophenoxy)-5-(2-methylpropyl)phenol |...) Show SMILES CC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C16H16Cl2O2/c1-10(2)7-11-3-5-16(14(19)8-11)20-15-6-4-12(17)9-13(15)18/h3-6,8-10,19H,7H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174770 (5-chloro-2-(2-chloro-4-nitrophenoxy)phenol | CHEMB...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)[N+]([O-])=O Show InChI InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25417 (2-(2,4-dichlorophenoxy)-5-(4-methylphenyl)phenol |...) Show SMILES Cc1ccc(cc1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C19H14Cl2O2/c1-12-2-4-13(5-3-12)14-6-8-19(17(22)10-14)23-18-9-7-15(20)11-16(18)21/h2-11,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174767 (2-(3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)ac...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(CC#N)cc1Cl Show InChI InChI=1S/C14H9Cl2NO2/c15-10-2-4-14(12(18)8-10)19-13-3-1-9(5-6-17)7-11(13)16/h1-4,7-8,18H,5H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25401 (2-(2,4-dichlorophenoxy)-5-methylphenol | Triclosan...) Show SMILES Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C13H10Cl2O2/c1-8-2-4-13(11(16)6-8)17-12-5-3-9(14)7-10(12)15/h2-7,16H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174754 ((3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)(mor...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H15Cl2NO4/c18-12-2-4-16(14(21)10-12)24-15-3-1-11(9-13(15)19)17(22)20-5-7-23-8-6-20/h1-4,9-10,21H,5-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25408 (2-(2,4-dichlorophenoxy)-5-propylphenol | Triclosan...) Show SMILES CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM592141 (US11572337, Compound 0MTK158) Show SMILES Oc1cc(O)c(C(=O)NCc2ccc(Oc3ccccc3)cc2C(F)(F)F)c(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PZ5DR6
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174768 (5‐chloro‐2‐(2‐chloro‐...) Show SMILES Oc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C12H8Cl2O3/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,15-16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (docked)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25416 (2-(2,4-dichlorophenoxy)-5-(3-methylphenyl)phenol |...) Show SMILES Cc1cccc(c1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C19H14Cl2O2/c1-12-3-2-4-13(9-12)14-5-7-19(17(22)10-14)23-18-8-6-15(20)11-16(18)21/h2-11,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174755 (CHEMBL198831 | N-(3-chloro-4-(4-chloro-2-hydroxyph...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NC(=O)N2CCOCC2)cc1Cl Show InChI InChI=1S/C17H16Cl2N2O4/c18-11-1-3-16(14(22)9-11)25-15-4-2-12(10-13(15)19)20-17(23)21-5-7-24-8-6-21/h1-4,9-10,22H,5-8H2,(H,20,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP reductase (Plasmodium falciparum)	BDBM25411 (2-(2,4-dichlorophenoxy)-5-(2-methylbutyl)phenol | ...) Show SMILES CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 Show InChI InChI=1S/C17H18Cl2O2/c1-3-11(2)8-12-4-6-17(15(20)9-12)21-16-7-5-13(18)10-14(16)19/h4-7,9-11,20H,3,8H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.9	25
Jacobus Pharmaceutical Company					Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ...				J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD
					More data for this Ligand-Target Pair				3D Structure (docked)
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM592173 (US11572337, Compound 0MTK267) Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3ccc(cc3)-c3cccnc3)cc2)c(O)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PZ5DR6
					More data for this Ligand-Target Pair
DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM592161 (US11572337, Compound 0MTK237) Show SMILES Oc1cc(O)c(C(=O)NCCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(O)c1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mix...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PZ5DR6
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50174758 (3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-methylben...) Show SMILES CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Inhibition of PfENR enzymatic activity				Bioorg Med Chem Lett 15: 5247-52 (2005) Article DOI: 10.1016/j.bmcl.2005.08.044 BindingDB Entry DOI: 10.7270/Q2NC60RF
					More data for this Ligand-Target Pair				3D Structure (crystal)

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