Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50002676   

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 IV [1-448] (Plasmodium falciparum)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.300	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.420	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin I (Plasmodium falciparum)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461481 (CHEMBL4225298) Show SMILES CCCCCCCCc1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H35N3O4/c1-2-3-4-5-6-7-9-17-14-18(11-12-21(28)29)22-20(15-17)26-24(25)27(23(22)30)16-19-10-8-13-31-19/h14-15,19H,2-13,16H2,1H3,(H2,25,26)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461481 (CHEMBL4225298) Show SMILES CCCCCCCCc1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H35N3O4/c1-2-3-4-5-6-7-9-17-14-18(11-12-21(28)29)22-20(15-17)26-24(25)27(23(22)30)16-19-10-8-13-31-19/h14-15,19H,2-13,16H2,1H3,(H2,25,26)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461472 (CHEMBL4227074) Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461473 (CHEMBL4225824) Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461484 (CHEMBL4226144) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C35H33N3O4/c36-35-37-32-21-27(16-18-30(32)33(39)38(35)22-28-10-5-19-42-28)29-17-11-24(9-4-8-23-6-2-1-3-7-23)20-31(29)25-12-14-26(15-13-25)34(40)41/h1-3,6-7,11-18,20-21,28H,4-5,8-10,19,22H2,(H2,36,37)(H,40,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461485 (CHEMBL4228072) Show SMILES Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C31H33N3O4/c32-31-33-27-19-25(23-13-11-22(12-14-23)9-4-8-21-6-2-1-3-7-21)18-24(15-16-28(35)36)29(27)30(37)34(31)20-26-10-5-17-38-26/h1-3,6-7,11-14,18-19,26H,4-5,8-10,15-17,20H2,(H2,32,33)(H,35,36)	PDB UniProtKB/SwissProt 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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461473 (CHEMBL4225824) Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461472 (CHEMBL4227074) Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461473 (CHEMBL4225824) Show SMILES CCCCCc1ccc(cc1)-c1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H33N3O4/c1-2-3-4-6-18-8-10-19(11-9-18)21-15-20(12-13-24(31)32)25-23(16-21)29-27(28)30(26(25)33)17-22-7-5-14-34-22/h8-11,15-16,22H,2-7,12-14,17H2,1H3,(H2,28,29)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461487 (CHEMBL4228456) Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H29N3O2/c1-2-3-4-6-17-8-10-18(11-9-17)19-12-13-21-22(15-19)26-24(25)27(23(21)28)16-20-7-5-14-29-20/h8-13,15,20H,2-7,14,16H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461485 (CHEMBL4228072) Show SMILES Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C31H33N3O4/c32-31-33-27-19-25(23-13-11-22(12-14-23)9-4-8-21-6-2-1-3-7-21)18-24(15-16-28(35)36)29(27)30(37)34(31)20-26-10-5-17-38-26/h1-3,6-7,11-14,18-19,26H,4-5,8-10,15-17,20H2,(H2,32,33)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461474 (CHEMBL4226087) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H35N3O2/c1-2-3-4-5-6-7-9-20-11-13-21(14-12-20)22-15-16-24-25(18-22)29-27(28)30(26(24)31)19-23-10-8-17-32-23/h11-16,18,23H,2-10,17,19H2,1H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461487 (CHEMBL4228456) Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H29N3O2/c1-2-3-4-6-17-8-10-18(11-9-17)19-12-13-21-22(15-19)26-24(25)27(23(21)28)16-20-7-5-14-29-20/h8-13,15,20H,2-7,14,16H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461474 (CHEMBL4226087) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H35N3O2/c1-2-3-4-5-6-7-9-20-11-13-21(14-12-20)22-15-16-24-25(18-22)29-27(28)30(26(24)31)19-23-10-8-17-32-23/h11-16,18,23H,2-10,17,19H2,1H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	PDB UniProtKB/SwissProt 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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50145775 (CHEMBL3764174) Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C30H33N3O2/c1-2-3-5-8-21-11-13-22(14-12-21)24-15-17-26-27(19-24)32-30(31)33(29(26)34)20-25-16-18-28(35-25)23-9-6-4-7-10-23/h4,6-7,9-15,17,19,25,28H,2-3,5,8,16,18,20H2,1H3,(H2,31,32)/t25-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461481 (CHEMBL4225298) Show SMILES CCCCCCCCc1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H35N3O4/c1-2-3-4-5-6-7-9-17-14-18(11-12-21(28)29)22-20(15-17)26-24(25)27(23(22)30)16-19-10-8-13-31-19/h14-15,19H,2-13,16H2,1H3,(H2,25,26)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50145786 (CHEMBL3763523) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H33N3O2/c35-34-36-31-22-28(26-16-14-25(15-17-26)11-7-10-24-8-3-1-4-9-24)18-20-30(31)33(38)37(34)23-29-19-21-32(39-29)27-12-5-2-6-13-27/h1-6,8-9,12-18,20,22,29,32H,7,10-11,19,21,23H2,(H2,35,36)/t29-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50145775 (CHEMBL3764174) Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C30H33N3O2/c1-2-3-5-8-21-11-13-22(14-12-21)24-15-17-26-27(19-24)32-30(31)33(29(26)34)20-25-16-18-28(35-25)23-9-6-4-7-10-23/h4,6-7,9-15,17,19,25,28H,2-3,5,8,16,18,20H2,1H3,(H2,31,32)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461474 (CHEMBL4226087) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C27H35N3O2/c1-2-3-4-5-6-7-9-20-11-13-21(14-12-20)22-15-16-24-25(18-22)29-27(28)30(26(24)31)19-23-10-8-17-32-23/h11-16,18,23H,2-10,17,19H2,1H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	155	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50145775 (CHEMBL3764174) Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C30H33N3O2/c1-2-3-5-8-21-11-13-22(14-12-21)24-15-17-26-27(19-24)32-30(31)33(29(26)34)20-25-16-18-28(35-25)23-9-6-4-7-10-23/h4,6-7,9-15,17,19,25,28H,2-3,5,8,16,18,20H2,1H3,(H2,31,32)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461480 (CHEMBL4225038) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O4/c27-26-28-22-14-19(16-5-2-1-3-6-16)13-21(17-8-10-18(11-9-17)25(31)32)23(22)24(30)29(26)15-20-7-4-12-33-20/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2,(H2,27,28)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461475 (CHEMBL4224896) Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25N3O4/c28-27-29-22-14-19(17-7-3-1-4-8-17)13-20(15-24(31)32)25(22)26(33)30(27)16-21-11-12-23(34-21)18-9-5-2-6-10-18/h1-10,13-14,21,23H,11-12,15-16H2,(H2,28,29)(H,31,32)/t21-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50461482 (CHEMBL4225299) Show SMILES CCCCCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C33H39N3O2/c1-2-3-4-5-6-8-11-24-14-16-25(17-15-24)27-18-20-29-30(22-27)35-33(34)36(32(29)37)23-28-19-21-31(38-28)26-12-9-7-10-13-26/h7,9-10,12-18,20,22,28,31H,2-6,8,11,19,21,23H2,1H3,(H2,34,35)/t28-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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 cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50461481 (CHEMBL4225298) Show SMILES CCCCCCCCc1cc(CCC(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H35N3O4/c1-2-3-4-5-6-7-9-17-14-18(11-12-21(28)29)22-20(15-17)26-24(25)27(23(22)30)16-19-10-8-13-31-19/h14-15,19H,2-13,16H2,1H3,(H2,25,26)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461486 (CHEMBL4227924) Show SMILES Nc1nc2cc(cc(-c3cccnc3)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O2/c25-24-27-21-13-18(16-6-2-1-3-7-16)12-20(17-8-4-10-26-14-17)22(21)23(29)28(24)15-19-9-5-11-30-19/h1-4,6-8,10,12-14,19H,5,9,11,15H2,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461471 (CHEMBL4225481) Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O4/c22-21-23-17-10-14(13-5-2-1-3-6-13)9-15(11-18(25)26)19(17)20(27)24(21)12-16-7-4-8-28-16/h1-3,5-6,9-10,16H,4,7-8,11-12H2,(H2,22,23)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461479 (CHEMBL4229013) Show SMILES Nc1nc2cc(cc(-c3cccc(c3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O4/c27-26-28-22-14-19(16-6-2-1-3-7-16)13-21(17-8-4-9-18(12-17)25(31)32)23(22)24(30)29(26)15-20-10-5-11-33-20/h1-4,6-9,12-14,20H,5,10-11,15H2,(H2,27,28)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461475 (CHEMBL4224896) Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25N3O4/c28-27-29-22-14-19(17-7-3-1-4-8-17)13-20(15-24(31)32)25(22)26(33)30(27)16-21-11-12-23(34-21)18-9-5-2-6-10-18/h1-10,13-14,21,23H,11-12,15-16H2,(H2,28,29)(H,31,32)/t21-,23+/m0/s1	PDB UniProtKB/SwissProt 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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461483 (CHEMBL4226891) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H27N3O4/c33-32-34-27-18-24(20-7-3-1-4-8-20)17-26(21-11-13-23(14-12-21)31(37)38)29(27)30(36)35(32)19-25-15-16-28(39-25)22-9-5-2-6-10-22/h1-14,17-18,25,28H,15-16,19H2,(H2,33,34)(H,37,38)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461478 (CHEMBL4229080) Show SMILES NC(=O)c1ccc(cc1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C26H24N4O3/c27-24(31)18-10-8-17(9-11-18)21-13-19(16-5-2-1-3-6-16)14-22-23(21)25(32)30(26(28)29-22)15-20-7-4-12-33-20/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2,(H2,27,31)(H2,28,29)	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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461487 (CHEMBL4228456) Show SMILES CCCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C24H29N3O2/c1-2-3-4-6-17-8-10-18(11-9-17)19-12-13-21-22(15-19)26-24(25)27(23(21)28)16-20-7-5-14-29-20/h8-13,15,20H,2-7,14,16H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461485 (CHEMBL4228072) Show SMILES Nc1nc2cc(cc(CCC(O)=O)c2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C31H33N3O4/c32-31-33-27-19-25(23-13-11-22(12-14-23)9-4-8-21-6-2-1-3-7-21)18-24(15-16-28(35)36)29(27)30(37)34(31)20-26-10-5-17-38-26/h1-3,6-7,11-14,18-19,26H,4-5,8-10,15-17,20H2,(H2,32,33)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461477 (CHEMBL4228633) Show SMILES Nc1cccc(c1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C25H24N4O2/c26-19-9-4-8-17(12-19)21-13-18(16-6-2-1-3-7-16)14-22-23(21)24(30)29(25(27)28-22)15-20-10-5-11-31-20/h1-4,6-9,12-14,20H,5,10-11,15,26H2,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461484 (CHEMBL4226144) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C35H33N3O4/c36-35-37-32-21-27(16-18-30(32)33(39)38(35)22-28-10-5-19-42-28)29-17-11-24(9-4-8-23-6-2-1-3-7-23)20-31(29)25-12-14-26(15-13-25)34(40)41/h1-3,6-7,11-18,20-21,28H,4-5,8-10,19,22H2,(H2,36,37)(H,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461477 (CHEMBL4228633) Show SMILES Nc1cccc(c1)-c1cc(cc2nc(N)n(CC3CCCO3)c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C25H24N4O2/c26-19-9-4-8-17(12-19)21-13-18(16-6-2-1-3-7-16)14-22-23(21)24(30)29(25(27)28-22)15-20-10-5-11-31-20/h1-4,6-9,12-14,20H,5,10-11,15,26H2,(H2,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50461476 (CHEMBL4228400) Show SMILES Nc1nc2cc(cc(-c3ccncc3)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C24H22N4O2/c25-24-27-21-14-18(16-5-2-1-3-6-16)13-20(17-8-10-26-11-9-17)22(21)23(29)28(24)15-19-7-4-12-30-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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 preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461475 (CHEMBL4224896) Show SMILES Nc1nc2cc(cc(CC(O)=O)c2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H25N3O4/c28-27-29-22-14-19(17-7-3-1-4-8-17)13-20(15-24(31)32)25(22)26(33)30(27)16-21-11-12-23(34-21)18-9-5-2-6-10-18/h1-10,13-14,21,23H,11-12,15-16H2,(H2,28,29)(H,31,32)/t21-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461479 (CHEMBL4229013) Show SMILES Nc1nc2cc(cc(-c3cccc(c3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O4/c27-26-28-22-14-19(16-6-2-1-3-7-16)13-21(17-8-4-9-18(12-17)25(31)32)23(22)24(30)29(26)15-20-10-5-11-33-20/h1-4,6-9,12-14,20H,5,10-11,15H2,(H2,27,28)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50461470 (CHEMBL4225394) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCCO1)-c1ccc(CCCc2ccccc2)cc1 Show InChI InChI=1S/C28H29N3O2/c29-28-30-26-18-23(15-16-25(26)27(32)31(28)19-24-10-5-17-33-24)22-13-11-21(12-14-22)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,11-16,18,24H,4-5,8-10,17,19H2,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+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-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50461480 (CHEMBL4225038) Show SMILES Nc1nc2cc(cc(-c3ccc(cc3)C(O)=O)c2c(=O)n1CC1CCCO1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O4/c27-26-28-22-14-19(16-5-2-1-3-6-16)13-21(17-8-10-18(11-9-17)25(31)32)23(22)24(30)29(26)15-20-7-4-12-33-20/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2,(H2,27,28)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Bioorg Med Chem 26: 2488-2500 (2018) Article DOI: 10.1016/j.bmc.2018.04.012 BindingDB Entry DOI: 10.7270/Q2X63QKH
					More data for this Ligand-Target Pair

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