Compile Data Set for Download or QSAR

Found 83 hits Enz. Inhib. hit(s) with all data for entry = 50007905   

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
Plasmepsin II (Plasmodium falciparum)	BDBM50513813 (CHEMBL4580808) Show SMILES OS(=O)(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-10-1-5-16(33-17-6-2-11(22)8-18(17)34(30,31)32)15(7-10)28-19(29)27-12-3-4-14(23)13(9-12)20(24,25)26/h1-9H,(H2,27,28,29)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513861 (CHEMBL4549336) Show SMILES OS(=O)(=O)c1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H11Cl5N2O5S/c20-9-1-4-16(31-17-7-13(23)14(24)8-18(17)32(28,29)30)15(5-9)26-19(27)25-10-2-3-11(21)12(22)6-10/h1-8H,(H2,25,26,27)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513854 (CHEMBL4469671) Show SMILES OS(=O)(=O)c1cc(Cl)c(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C19H12Cl4N2O5S/c20-10-1-4-12(5-2-10)30-17-6-3-11(7-15(17)23)24-19(26)25-16-8-13(21)14(22)9-18(16)31(27,28)29/h1-9H,(H2,24,25,26)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513834 (CHEMBL4542215) Show SMILES OS(=O)(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H13Cl2F3N2O5S/c21-12-4-7-17(15(22)9-12)32-14-5-6-16(18(10-14)33(29,30)31)27-19(28)26-13-3-1-2-11(8-13)20(23,24)25/h1-10H,(H2,26,27,28)(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513833 (CHEMBL4476095) Show SMILES OS(=O)(=O)c1cc(Oc2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-10-1-4-12(5-2-10)33-17-9-18(34(30,31)32)16(8-15(17)23)28-19(29)27-11-3-6-14(22)13(7-11)20(24,25)26/h1-9H,(H2,27,28,29)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513832 (CHEMBL4518023) Show SMILES OS(=O)(=O)c1cc(Oc2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H12Cl4N2O5S/c20-10-1-4-12(5-2-10)30-17-9-18(31(27,28)29)16(8-15(17)23)25-19(26)24-11-3-6-13(21)14(22)7-11/h1-9H,(H2,24,25,26)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513831 (CHEMBL4437776) Show SMILES OS(=O)(=O)c1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1NC(=O)Nc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C20H11Cl4F3N2O5S/c21-10-2-4-16(34-17-7-12(23)13(24)8-18(17)35(31,32)33)15(6-10)29-19(30)28-14-5-9(20(25,26)27)1-3-11(14)22/h1-8H,(H2,28,29,30)(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513830 (CHEMBL4468033) Show SMILES OS(=O)(=O)c1c(Cl)ccc(Oc2ccc(Cl)cc2)c1NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H12Cl2F6N2O5S/c22-12-1-3-14(4-2-12)36-16-6-5-15(23)18(37(33,34)35)17(16)31-19(32)30-13-8-10(20(24,25)26)7-11(9-13)21(27,28)29/h1-9H,(H2,30,31,32)(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513863 (CHEMBL4472368) Show SMILES OS(=O)(=O)c1cc(Cl)c(cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C20H12Cl3F3N2O5S/c21-10-1-4-12(5-2-10)33-17-6-3-11(7-15(17)23)27-19(29)28-16-8-13(20(24,25)26)14(22)9-18(16)34(30,31)32/h1-9H,(H2,27,28,29)(H,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513825 (CHEMBL4573790) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1 |t:13| Show InChI InChI=1S/C34H36F3N3O4/c1-23(41)40-21-27-19-30(32(31(22-40)38-27)33(42)39(2)17-15-24-7-4-3-5-8-24)26-13-11-25(12-14-26)16-18-43-28-9-6-10-29(20-28)44-34(35,36)37/h3-14,20,27,31,38H,15-19,21-22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513835 (CHEMBL4459276) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccccc2C(C)(C)C)cc1 |t:13| Show InChI InChI=1S/C37H45N3O3/c1-26(41)40-24-30-23-31(35(33(25-40)38-30)36(42)39(5)21-19-27-11-7-6-8-12-27)29-17-15-28(16-18-29)20-22-43-34-14-10-9-13-32(34)37(2,3)4/h6-18,30,33,38H,19-25H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513822 (CHEMBL4574509) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cc(F)ccc2Br)cc1 |t:13| Show InChI InChI=1S/C33H35BrFN3O3/c1-22(39)38-20-27-19-28(25-10-8-24(9-11-25)15-17-41-31-18-26(35)12-13-29(31)34)32(30(21-38)36-27)33(40)37(2)16-14-23-6-4-3-5-7-23/h3-13,18,27,30,36H,14-17,19-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513853 (CHEMBL4471662) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cc(Cl)cc(Cl)c2)cc1 |t:13| Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)38-20-28-19-30(25-10-8-24(9-11-25)13-15-41-29-17-26(34)16-27(35)18-29)32(31(21-38)36-28)33(40)37(2)14-12-23-6-4-3-5-7-23/h3-11,16-18,28,31,36H,12-15,19-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513855 (CHEMBL4439654) Show SMILES COc1cccc(OCCc2ccc(cc2)C2=C(C3CN(CC(C2)N3)C(C)=O)C(=O)N(C)CCc2ccccc2)c1 |t:17| Show InChI InChI=1S/C34H39N3O4/c1-24(38)37-22-28-20-31(27-14-12-26(13-15-27)17-19-41-30-11-7-10-29(21-30)40-3)33(32(23-37)35-28)34(39)36(2)18-16-25-8-5-4-6-9-25/h4-15,21,28,32,35H,16-20,22-23H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513836 (CHEMBL4536043) Show SMILES CC(C)c1ccccc1OCCc1ccc(cc1)C1=C(C2CN(CC(C1)N2)C(C)=O)C(=O)N(C)CCc1ccccc1 |t:20| Show InChI InChI=1S/C36H43N3O3/c1-25(2)31-12-8-9-13-34(31)42-21-19-28-14-16-29(17-15-28)32-22-30-23-39(26(3)40)24-33(37-30)35(32)36(41)38(4)20-18-27-10-6-5-7-11-27/h5-17,25,30,33,37H,18-24H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513826 (CHEMBL4442042) Show SMILES Br.Br.[H][C@@]12CC[C@@]([H])(N1)[C@@H]([C@@H]2NCc1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 |r,THB:11:10:5.4:8| Show InChI InChI=1S/C25H33BrN2O2S.2BrH/c1-2-3-4-5-7-18-10-12-21(13-11-18)31(29,30)25-23-15-14-22(28-23)24(25)27-17-19-8-6-9-20(26)16-19;;/h6,8-13,16,22-25,27-28H,2-5,7,14-15,17H2,1H3;2*1H/t22-,23+,24+,25-;;/m0../s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513809 (CHEMBL4558109) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccc(cc2C)C(C)(C)C)cc1 |t:13| Show InChI InChI=1S/C38H47N3O3/c1-26-22-31(38(3,4)5)16-17-35(26)44-21-19-29-12-14-30(15-13-29)33-23-32-24-41(27(2)42)25-34(39-32)36(33)37(43)40(6)20-18-28-10-8-7-9-11-28/h7-17,22,32,34,39H,18-21,23-25H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513824 (CHEMBL4474231) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cccc(Br)c2)cc1 |t:13| Show InChI InChI=1S/C33H36BrN3O3/c1-23(38)37-21-28-20-30(26-13-11-25(12-14-26)16-18-40-29-10-6-9-27(34)19-29)32(31(22-37)35-28)33(39)36(2)17-15-24-7-4-3-5-8-24/h3-14,19,28,31,35H,15-18,20-22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513823 (CHEMBL4517758) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cc(Cl)ccc2Cl)cc1 |t:13| Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)38-20-27-19-28(25-10-8-24(9-11-25)15-17-41-31-18-26(34)12-13-29(31)35)32(30(21-38)36-27)33(40)37(2)16-14-23-6-4-3-5-7-23/h3-13,18,27,30,36H,14-17,19-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513846 (CHEMBL4456145) Show SMILES CC(C)CCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:23:22:21:19.18,THB:13:16:21:19.18| Show InChI InChI=1S/C30H38N2O2S/c1-21(2)7-3-4-8-22-12-15-26(16-13-22)35(33,34)30-28-18-17-27(32-28)29(30)31-20-23-11-14-24-9-5-6-10-25(24)19-23/h5-6,9-16,19,21,27-32H,3-4,7-8,17-18,20H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513857 (CHEMBL4541926) Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:22:21:20:18.17,THB:12:15:20:18.17| Show InChI InChI=1S/C29H36N2O2S/c1-2-3-4-5-8-21-12-15-25(16-13-21)34(32,33)29-27-18-17-26(31-27)28(29)30-20-22-11-14-23-9-6-7-10-24(23)19-22/h6-7,9-16,19,26-31H,2-5,8,17-18,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513814 (CHEMBL4585628) Show SMILES CCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:23:22:21:19.18,THB:13:16:21:19.18| Show InChI InChI=1S/C30H38N2O2S/c1-2-3-4-5-6-9-22-13-16-26(17-14-22)35(33,34)30-28-19-18-27(32-28)29(30)31-21-23-12-15-24-10-7-8-11-25(24)20-23/h7-8,10-17,20,27-32H,2-6,9,18-19,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513841 (CHEMBL4578117) Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:24:23:22:20.19,THB:14:17:22:20.19| Show InChI InChI=1S/C31H40N2O2S/c1-2-3-4-5-6-7-10-23-14-17-27(18-15-23)36(34,35)31-29-20-19-28(33-29)30(31)32-22-24-13-16-25-11-8-9-12-26(25)21-24/h8-9,11-18,21,28-33H,2-7,10,19-20,22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513860 (CHEMBL4576880) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C37H42N2O/c1-2-3-6-11-30-16-22-35(23-17-30)37(40)39(29-32-18-20-34(21-19-32)33-14-9-5-10-15-33)36-24-26-38(27-25-36)28-31-12-7-4-8-13-31/h4-5,7-10,12-23,36H,2-3,6,11,24-29H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513846 (CHEMBL4456145) Show SMILES CC(C)CCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:23:22:21:19.18,THB:13:16:21:19.18| Show InChI InChI=1S/C30H38N2O2S/c1-21(2)7-3-4-8-22-12-15-26(16-13-22)35(33,34)30-28-18-17-27(32-28)29(30)31-20-23-11-14-24-9-5-6-10-25(24)19-23/h5-6,9-16,19,21,27-32H,3-4,7-8,17-18,20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513859 (CHEMBL4466309) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2ccccc2Cl)C2CC2)c1F |t:18| Show InChI InChI=1S/C31H30ClF3N2O2/c32-26-6-2-1-5-22(26)19-37(23-11-12-23)31(38)25-18-36-16-15-24(25)21-9-7-20(8-10-21)4-3-17-39-30-28(34)14-13-27(33)29(30)35/h1-2,5-10,13-14,23,36H,3-4,11-12,15-19H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513812 (CHEMBL4582671) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccccc2Cl)cc1 |t:13| Show InChI InChI=1S/C33H36ClN3O3/c1-23(38)37-21-27-20-28(26-14-12-25(13-15-26)17-19-40-31-11-7-6-10-29(31)34)32(30(22-37)35-27)33(39)36(2)18-16-24-8-4-3-5-9-24/h3-15,27,30,35H,16-22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513837 (CHEMBL4483470) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2ccc(C)cc2C(C)(C)C)cc1 |t:13| Show InChI InChI=1S/C38H47N3O3/c1-26-12-17-35(33(22-26)38(3,4)5)44-21-19-29-13-15-30(16-14-29)32-23-31-24-41(27(2)42)25-34(39-31)36(32)37(43)40(6)20-18-28-10-8-7-9-11-28/h7-17,22,31,34,39H,18-21,23-25H2,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513850 (CHEMBL1088430) Show SMILES Fc1ccc(Br)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2ccccc2Cl)C2CC2)c1 |t:18| Show InChI InChI=1S/C31H31BrClFN2O2/c32-28-14-11-24(34)18-30(28)38-17-3-4-21-7-9-22(10-8-21)26-15-16-35-19-27(26)31(37)36(25-12-13-25)20-23-5-1-2-6-29(23)33/h1-2,5-11,14,18,25,35H,3-4,12-13,15-17,19-20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513848 (CHEMBL4520702) Show SMILES CN(CCc1ccccc1)C(=O)C1=C(CC2CN(CC1N2)C(C)=O)c1ccc(CCOc2cccc(Cl)c2)cc1 |t:13| Show InChI InChI=1S/C33H36ClN3O3/c1-23(38)37-21-28-20-30(26-13-11-25(12-14-26)16-18-40-29-10-6-9-27(34)19-29)32(31(22-37)35-28)33(39)36(2)17-15-24-7-4-3-5-8-24/h3-14,19,28,31,35H,15-18,20-22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513817 (CHEMBL4521042) Show SMILES Cc1ccc(C)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2ccccc2Cl)C2CC2)c1C |t:18| Show InChI InChI=1S/C34H39ClN2O2/c1-23-10-11-24(2)33(25(23)3)39-20-6-7-26-12-14-27(15-13-26)30-18-19-36-21-31(30)34(38)37(29-16-17-29)22-28-8-4-5-9-32(28)35/h4-5,8-15,29,36H,6-7,16-22H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513816 (CHEMBL4457567) Show SMILES Clc1ccccc1CN(C1CC1)C(=O)C1=C(CCNC1)c1ccc(CCCOc2ccccc2Cl)cc1 |t:16| Show InChI InChI=1S/C31H32Cl2N2O2/c32-28-8-2-1-7-24(28)21-35(25-15-16-25)31(36)27-20-34-18-17-26(27)23-13-11-22(12-14-23)6-5-19-37-30-10-4-3-9-29(30)33/h1-4,7-14,25,34H,5-6,15-21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513857 (CHEMBL4541926) Show SMILES CCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:22:21:20:18.17,THB:12:15:20:18.17| Show InChI InChI=1S/C29H36N2O2S/c1-2-3-4-5-8-21-12-15-25(16-13-21)34(32,33)29-27-18-17-26(31-27)28(29)30-20-22-11-14-23-9-6-7-10-24(23)19-22/h6-7,9-16,19,26-31H,2-5,8,17-18,20H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513849 (CHEMBL4552145) Show SMILES CCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:25:24:23:21.20,THB:15:18:23:21.20| Show InChI InChI=1S/C32H42N2O2S/c1-2-3-4-5-6-7-8-11-24-15-18-28(19-16-24)37(35,36)32-30-21-20-29(34-30)31(32)33-23-25-14-17-26-12-9-10-13-27(26)22-25/h9-10,12-19,22,29-34H,2-8,11,20-21,23H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513845 (CHEMBL4457677) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C31H38N2O2S/c34-36(35,27-16-13-23(14-17-27)7-2-1-6-22-8-5-9-22)31-29-19-18-28(33-29)30(31)32-21-24-12-15-25-10-3-4-11-26(25)20-24/h3-4,10-17,20,22,28-33H,1-2,5-9,18-19,21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513845 (CHEMBL4457677) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C31H38N2O2S/c34-36(35,27-16-13-23(14-17-27)7-2-1-6-22-8-5-9-22)31-29-19-18-28(33-29)30(31)32-21-24-12-15-25-10-3-4-11-26(25)20-24/h3-4,10-17,20,22,28-33H,1-2,5-9,18-19,21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513844 (CHEMBL4436986) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C32H40N2O2S/c35-37(36,28-17-14-24(15-18-28)10-4-3-9-23-7-1-2-8-23)32-30-20-19-29(34-30)31(32)33-22-25-13-16-26-11-5-6-12-27(26)21-25/h5-6,11-18,21,23,29-34H,1-4,7-10,19-20,22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513844 (CHEMBL4436986) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C32H40N2O2S/c35-37(36,28-17-14-24(15-18-28)10-4-3-9-23-7-1-2-8-23)32-30-20-19-29(34-30)31(32)33-22-25-13-16-26-11-5-6-12-27(26)21-25/h5-6,11-18,21,23,29-34H,1-4,7-10,19-20,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513814 (CHEMBL4585628) Show SMILES CCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:23:22:21:19.18,THB:13:16:21:19.18| Show InChI InChI=1S/C30H38N2O2S/c1-2-3-4-5-6-9-22-13-16-26(17-14-22)35(33,34)30-28-19-18-27(32-28)29(30)31-21-23-12-15-24-10-7-8-11-25(24)20-23/h7-8,10-17,20,27-32H,2-6,9,18-19,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513840 (CHEMBL4472299) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:21:20:19:17.16,THB:11:14:19:17.16| Show InChI InChI=1S/C28H34N2O2S/c1-2-3-4-7-20-11-14-24(15-12-20)33(31,32)28-26-17-16-25(30-26)27(28)29-19-21-10-13-22-8-5-6-9-23(22)18-21/h5-6,8-15,18,25-30H,2-4,7,16-17,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513842 (CHEMBL4553173) Show SMILES CCCCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:26:25:24:22.21,THB:16:19:24:22.21| Show InChI InChI=1S/C33H44N2O2S/c1-2-3-4-5-6-7-8-9-12-25-16-19-29(20-17-25)38(36,37)33-31-22-21-30(35-31)32(33)34-24-26-15-18-27-13-10-11-14-28(27)23-26/h10-11,13-20,23,30-35H,2-9,12,21-22,24H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513843 (CHEMBL4456617) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C33H42N2O2S/c36-38(37,29-18-15-25(16-19-29)11-5-4-10-24-8-2-1-3-9-24)33-31-21-20-30(35-31)32(33)34-23-26-14-17-27-12-6-7-13-28(27)22-26/h6-7,12-19,22,24,30-35H,1-5,8-11,20-21,23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513841 (CHEMBL4578117) Show SMILES CCCCCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:24:23:22:20.19,THB:14:17:22:20.19| Show InChI InChI=1S/C31H40N2O2S/c1-2-3-4-5-6-7-10-23-14-17-27(18-15-23)36(34,35)31-29-20-19-28(33-29)30(31)32-22-24-13-16-25-11-8-9-12-26(25)21-24/h8-9,11-18,21,28-33H,2-7,10,19-20,22H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513821 (CHEMBL4564399) Show SMILES CCCCCc1ccc(c(Cl)c1)-n1nnc(CCN(CC)CC)c1-c1ccc(cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C32H39ClN4O/c1-5-8-9-10-24-11-20-31(29(33)23-24)37-32(30(34-35-37)21-22-36(6-2)7-3)27-14-12-25(13-15-27)26-16-18-28(38-4)19-17-26/h11-20,23H,5-10,21-22H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition measured ...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513852 (CHEMBL4585928) Show SMILES CCCCCc1ccc(cc1)-n1nnc(CCN(CC)CC)c1-c1ccc(cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C32H40N4O/c1-5-8-9-10-25-11-19-29(20-12-25)36-32(31(33-34-36)23-24-35(6-2)7-3)28-15-13-26(14-16-28)27-17-21-30(37-4)22-18-27/h11-22H,5-10,23-24H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition measured ...				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50513840 (CHEMBL4472299) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)C1C2CCC(N2)C1NCc1ccc2ccccc2c1 |TLB:21:20:19:17.16,THB:11:14:19:17.16| Show InChI InChI=1S/C28H34N2O2S/c1-2-3-4-7-20-11-14-24(15-12-20)33(31,32)28-26-17-16-25(30-26)27(28)29-19-21-10-13-22-8-5-6-9-23(22)18-21/h5-6,8-15,18,25-30H,2-4,7,16-17,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50513843 (CHEMBL4456617) Show SMILES O=S(=O)(C1C2CCC(N2)C1NCc1ccc2ccccc2c1)c1ccc(CCCCC2CCCCC2)cc1 |TLB:10:9:8:6.5,THB:1:3:8:6.5| Show InChI InChI=1S/C33H42N2O2S/c36-38(37,29-18-15-25(16-19-29)11-5-4-10-24-8-2-1-3-9-24)33-31-21-20-30(35-31)32(33)34-23-26-14-17-27-12-6-7-13-28(27)22-26/h6-7,12-19,22,24,30-35H,1-5,8-11,20-21,23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50001676 (CHEMBL3237776 | Mr-I-27) Show SMILES COc1ccccc1C(=O)NN Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233138 (Butanohydrazide | Mr-I-33) Show SMILES CCCC(=O)NN Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233142 (1,2-Dipyridinylhydrazine | Mr-II-80) Show SMILES N(Nc1ccncc1)c1ccncc1 Show InChI InChI=1S/C10H10N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,(H,11,13)(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET assay				J Med Chem 62: 8931-8950 (2019) Article DOI: 10.1021/acs.jmedchem.9b00184 BindingDB Entry DOI: 10.7270/Q2P55RVR
					More data for this Ligand-Target Pair

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