Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with Target = 'Plasmepsin IV [1-448]'   

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)	BDBM50276305 (CHEMBL4127220) Show SMILES CC[C@H](C)[C@H](N1C(=O)c2ccc(C)cc2C1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)N2C(=O)c3ccc(C)cc3C2=O)CC1 |r| Show InChI InChI=1S/C54H66N6O8/c1-7-35(5)47(59-51(65)39-21-19-33(3)27-41(39)53(59)67)49(63)55-43(29-37-15-11-9-12-16-37)45(61)31-57-23-25-58(26-24-57)32-46(62)44(30-38-17-13-10-14-18-38)56-50(64)48(36(6)8-2)60-52(66)40-22-20-34(4)28-42(40)54(60)68/h9-22,27-28,35-36,43-48,61-62H,7-8,23-26,29-32H2,1-6H3,(H,55,63)(H,56,64)/t35-,36-,43-,44-,45+,46+,47-,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	841	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum Plm4 using synthetic substrate pretreated for 5 mins followed by substrate addition measured immediately by spect...				Bioorg Med Chem 26: 3837-3844 (2018) Article DOI: 10.1016/j.bmc.2018.06.037 BindingDB Entry DOI: 10.7270/Q2F1926X
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50276293 (CHEMBL4125845) Show SMILES CC(C)C[C@H](N1C(=O)c2ccc(C)cc2C1=O)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N2C(=O)c3ccc(C)cc3C2=O)CC1 |r| Show InChI InChI=1S/C54H66N6O8/c1-33(2)25-45(59-51(65)39-19-17-35(5)27-41(39)53(59)67)49(63)55-43(29-37-13-9-7-10-14-37)47(61)31-57-21-23-58(24-22-57)32-48(62)44(30-38-15-11-8-12-16-38)56-50(64)46(26-34(3)4)60-52(66)40-20-18-36(6)28-42(40)54(60)68/h7-20,27-28,33-34,43-48,61-62H,21-26,29-32H2,1-6H3,(H,55,63)(H,56,64)/t43-,44+,45-,46-,47+,48-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum Plm4 using synthetic substrate pretreated for 5 mins followed by substrate addition measured immediately by spect...				Bioorg Med Chem 26: 3837-3844 (2018) Article DOI: 10.1016/j.bmc.2018.06.037 BindingDB Entry DOI: 10.7270/Q2F1926X
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50276301 (CHEMBL4128581) Show SMILES Cc1ccc2C(=O)N(CC(=O)N[C@H](Cc3ccccc3)[C@@H](O)CN3CCN(C[C@@H](O)[C@H](Cc4ccccc4)NC(=O)CN4C(=O)c5ccc(C)cc5C4=O)CC3)C(=O)c2c1 |r| Show InChI InChI=1S/C46H50N6O8/c1-29-13-15-33-35(21-29)45(59)51(43(33)57)27-41(55)47-37(23-31-9-5-3-6-10-31)39(53)25-49-17-19-50(20-18-49)26-40(54)38(24-32-11-7-4-8-12-32)48-42(56)28-52-44(58)34-16-14-30(2)22-36(34)46(52)60/h3-16,21-22,37-40,53-54H,17-20,23-28H2,1-2H3,(H,47,55)(H,48,56)/t37-,38+,39+,40-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum Plm4 using synthetic substrate pretreated for 5 mins followed by substrate addition measured immediately by spect...				Bioorg Med Chem 26: 3837-3844 (2018) Article DOI: 10.1016/j.bmc.2018.06.037 BindingDB Entry DOI: 10.7270/Q2F1926X
					More data for this Ligand-Target Pair
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 IV [1-448] (Plasmodium falciparum)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507805 (CHEMBL4545195) Show SMILES CCCN(CCC)C(=O)c1cc(Cl)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C34H44ClN3O4/c1-6-16-38(17-7-2)33(41)26-19-25(20-28(35)21-26)32(40)37-30(18-24-12-9-8-10-13-24)31(39)23-36-34(3,4)27-14-11-15-29(22-27)42-5/h8-15,19-22,30-31,36,39H,6-7,16-18,23H2,1-5H3,(H,37,40)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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 IV [1-448] (Plasmodium falciparum)	BDBM234527 (US9353089, 206) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50514491 (CHEMBL4556003) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)C1C(NCc2ccc3ccccc3c2)C2CC(CNC3CCCC3)C1N2 Show InChI InChI=1S/C34H45N3O2S/c1-2-3-4-9-24-15-18-30(19-16-24)40(38,39)34-32-28(23-35-29-12-7-8-13-29)21-31(37-32)33(34)36-22-25-14-17-26-10-5-6-11-27(26)20-25/h5-6,10-11,14-20,28-29,31-37H,2-4,7-9,12-13,21-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507788 (CHEMBL4475791) Show SMILES CCN(CC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r| Show InChI InChI=1S/C37H50N4O4/c1-6-40(7-2)36(44)29-22-28(23-31(24-29)41-19-12-9-13-20-41)35(43)39-33(21-27-15-10-8-11-16-27)34(42)26-38-37(3,4)30-17-14-18-32(25-30)45-5/h8,10-11,14-18,22-25,33-34,38,42H,6-7,9,12-13,19-21,26H2,1-5H3,(H,39,43)/t33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507813 (CHEMBL4586892) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C35H44F3N3O4/c1-6-16-41(17-7-2)33(44)26-19-25(20-28(21-26)35(36,37)38)32(43)40-30(18-24-12-9-8-10-13-24)31(42)23-39-34(3,4)27-14-11-15-29(22-27)45-5/h8-15,19-22,30-31,39,42H,6-7,16-18,23H2,1-5H3,(H,40,43)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50514505 (CHEMBL4516552) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM234497 (US9353089, 117) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507797 (CHEMBL4449824) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C41H58N4O5/c1-8-20-44(21-9-2)39(48)32-25-31(26-33(27-32)40(49)45(22-10-3)23-11-4)38(47)43-36(24-30-16-13-12-14-17-30)37(46)29-42-41(5,6)34-18-15-19-35(28-34)50-7/h12-19,25-28,36-37,42,46H,8-11,20-24,29H2,1-7H3,(H,43,47)/t36-,37+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507793 (CHEMBL4446738) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C35H47N3O4/c1-7-17-38(18-8-2)34(41)28-20-25(3)19-27(22-28)33(40)37-31(21-26-13-10-9-11-14-26)32(39)24-36-35(4,5)29-15-12-16-30(23-29)42-6/h9-16,19-20,22-23,31-32,36,39H,7-8,17-18,21,24H2,1-6H3,(H,37,40)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt 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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507800 (CHEMBL4454293) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCC(F)(F)F)N1CCCCC1 |r| Show InChI InChI=1S/C36H45F3N4O4/c1-35(2,28-13-10-14-30(23-28)47-3)41-24-32(44)31(19-25-11-6-4-7-12-25)42-34(46)27-20-26(33(45)40-16-15-36(37,38)39)21-29(22-27)43-17-8-5-9-18-43/h4,6-7,10-14,20-23,31-32,41,44H,5,8-9,15-19,24H2,1-3H3,(H,40,45)(H,42,46)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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)	BDBM50507794 (CHEMBL4515147) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC(C)(C)C)N1CCCCC1 |r| Show InChI InChI=1S/C38H52N4O4/c1-37(2,3)26-39-35(44)28-21-29(23-31(22-28)42-18-11-8-12-19-42)36(45)41-33(20-27-14-9-7-10-15-27)34(43)25-40-38(4,5)30-16-13-17-32(24-30)46-6/h7,9-10,13-17,21-24,33-34,40,43H,8,11-12,18-20,25-26H2,1-6H3,(H,39,44)(H,41,45)/t33-,34+/m0/s1	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507795 (CHEMBL4555241) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC1CC1)N1CCCCC1 |r| Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-13-10-14-32(23-30)45-3)39-25-34(42)33(19-26-11-6-4-7-12-26)40-36(44)29-20-28(35(43)38-24-27-15-16-27)21-31(22-29)41-17-8-5-9-18-41/h4,6-7,10-14,20-23,27,33-34,39,42H,5,8-9,15-19,24-25H2,1-3H3,(H,38,43)(H,40,44)/t33-,34+/m0/s1	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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)	BDBM50507790 (CHEMBL4516259) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCOC(C)(C)C)N1CCCCC1 |r| Show InChI InChI=1S/C39H54N4O5/c1-38(2,3)48-21-18-40-36(45)29-23-30(25-32(24-29)43-19-11-8-12-20-43)37(46)42-34(22-28-14-9-7-10-15-28)35(44)27-41-39(4,5)31-16-13-17-33(26-31)47-6/h7,9-10,13-17,23-26,34-35,41,44H,8,11-12,18-22,27H2,1-6H3,(H,40,45)(H,42,46)/t34-,35+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM234503 (US9353089, 136) Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507799 (CHEMBL4442495) Show SMILES COCCN(CCOC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r| Show InChI InChI=1S/C39H54N4O6/c1-39(2,32-15-12-16-34(27-32)49-5)40-28-36(44)35(23-29-13-8-6-9-14-29)41-37(45)30-24-31(26-33(25-30)42-17-10-7-11-18-42)38(46)43(19-21-47-3)20-22-48-4/h6,8-9,12-16,24-27,35-36,40,44H,7,10-11,17-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507812 (CHEMBL4470195) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N1CCCCC1 |r| Show InChI InChI=1S/C40H48N4O4/c1-40(2,33-18-13-19-35(26-33)48-3)42-28-37(45)36(22-29-14-7-4-8-15-29)43-39(47)32-23-31(24-34(25-32)44-20-11-6-12-21-44)38(46)41-27-30-16-9-5-10-17-30/h4-5,7-10,13-19,23-26,36-37,42,45H,6,11-12,20-22,27-28H2,1-3H3,(H,41,46)(H,43,47)/t36-,37+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM234501 (US9353089, 128) Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1 Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					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
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					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 IV [1-448] (Plasmodium falciparum)	BDBM234576 (US9353089, Table 8, Compound 1) Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1 |w:2.1| Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507789 (CHEMBL4515257) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC(C)(C)OC)N1CCCCC1 |r| Show InChI InChI=1S/C38H52N4O5/c1-37(2,47-6)26-39-35(44)28-21-29(23-31(22-28)42-18-11-8-12-19-42)36(45)41-33(20-27-14-9-7-10-15-27)34(43)25-40-38(3,4)30-16-13-17-32(24-30)46-5/h7,9-10,13-17,21-24,33-34,40,43H,8,11-12,18-20,25-26H2,1-6H3,(H,39,44)(H,41,45)/t33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507815 (CHEMBL4449532) Show SMILES CCCN(CCC)C(=O)c1cc(F)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C34H44FN3O4/c1-6-16-38(17-7-2)33(41)26-19-25(20-28(35)21-26)32(40)37-30(18-24-12-9-8-10-13-24)31(39)23-36-34(3,4)27-14-11-15-29(22-27)42-5/h8-15,19-22,30-31,36,39H,6-7,16-18,23H2,1-5H3,(H,37,40)/t30-,31+/m0/s1	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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 IV [1-448] (Plasmodium falciparum)	BDBM50507810 (CHEMBL4546797) Show SMILES COCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r| Show InChI InChI=1S/C36H48N4O5/c1-36(2,29-14-11-15-31(24-29)45-4)38-25-33(41)32(20-26-12-7-5-8-13-26)39-35(43)28-21-27(34(42)37-16-19-44-3)22-30(23-28)40-17-9-6-10-18-40/h5,7-8,11-15,21-24,32-33,38,41H,6,9-10,16-20,25H2,1-4H3,(H,37,42)(H,39,43)/t32-,33+/m0/s1	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50514489 (CHEMBL4537622) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C33H42Cl2N2O2/c1-4-5-6-7-25-8-10-26(11-9-25)33(38)37(28-17-20-36(21-18-28)19-16-24(2)3)23-29-13-15-32(39-29)27-12-14-30(34)31(35)22-27/h8-15,22,24,28H,4-7,16-21,23H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507796 (CHEMBL2334376) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C34H45N3O4/c1-6-19-37(20-7-2)33(40)27-16-11-15-26(22-27)32(39)36-30(21-25-13-9-8-10-14-25)31(38)24-35-34(3,4)28-17-12-18-29(23-28)41-5/h8-18,22-23,30-31,35,38H,6-7,19-21,24H2,1-5H3,(H,36,39)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507806 (CHEMBL4522288) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)C#N |r| Show InChI InChI=1S/C35H44N4O4/c1-6-16-39(17-7-2)34(42)28-19-26(23-36)18-27(21-28)33(41)38-31(20-25-12-9-8-10-13-25)32(40)24-37-35(3,4)29-14-11-15-30(22-29)43-5/h8-15,18-19,21-22,31-32,37,40H,6-7,16-17,20,24H2,1-5H3,(H,38,41)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM234541 (US9353089, 275) Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50514483 (CHEMBL4530972) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(o1)-c1cc(Cl)ccc1Cl)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C33H42Cl2N2O2/c1-4-5-6-7-25-8-10-26(11-9-25)33(38)37(28-17-20-36(21-18-28)19-16-24(2)3)23-29-13-15-32(39-29)30-22-27(34)12-14-31(30)35/h8-15,22,24,28H,4-7,16-21,23H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507798 (CHEMBL4453065) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CCO)CCO)N1CCCCC1 |r| Show InChI InChI=1S/C37H50N4O6/c1-37(2,30-13-10-14-32(25-30)47-3)38-26-34(44)33(21-27-11-6-4-7-12-27)39-35(45)28-22-29(36(46)41(17-19-42)18-20-43)24-31(23-28)40-15-8-5-9-16-40/h4,6-7,10-14,22-25,33-34,38,42-44H,5,8-9,15-21,26H2,1-3H3,(H,39,45)/t33-,34+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507814 (CHEMBL4464784) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)NCC(C)(C)C |r| Show InChI InChI=1S/C33H43N3O4/c1-32(2,3)22-34-30(38)24-14-10-15-25(19-24)31(39)36-28(18-23-12-8-7-9-13-23)29(37)21-35-33(4,5)26-16-11-17-27(20-26)40-6/h7-17,19-20,28-29,35,37H,18,21-22H2,1-6H3,(H,34,38)(H,36,39)/t28-,29+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507807 (CHEMBL4561558) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(C)C)N1CCCCC1 |r| Show InChI InChI=1S/C35H46N4O4/c1-35(2,28-15-12-16-30(23-28)43-5)36-24-32(40)31(19-25-13-8-6-9-14-25)37-33(41)26-20-27(34(42)38(3)4)22-29(21-26)39-17-10-7-11-18-39/h6,8-9,12-16,20-23,31-32,36,40H,7,10-11,17-19,24H2,1-5H3,(H,37,41)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507804 (CHEMBL4536592) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC1CCCCC1)N1CCCCC1 |r| Show InChI InChI=1S/C40H54N4O4/c1-40(2,33-18-13-19-35(26-33)48-3)42-28-37(45)36(22-29-14-7-4-8-15-29)43-39(47)32-23-31(24-34(25-32)44-20-11-6-12-21-44)38(46)41-27-30-16-9-5-10-17-30/h4,7-8,13-15,18-19,23-26,30,36-37,42,45H,5-6,9-12,16-17,20-22,27-28H2,1-3H3,(H,41,46)(H,43,47)/t36-,37+/m0/s1	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 DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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 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 IV [1-448] (Plasmodium falciparum)	BDBM50507792 (CHEMBL4569382) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCCO)N1CCCCC1 |r| Show InChI InChI=1S/C36H48N4O5/c1-36(2,29-14-10-15-31(24-29)45-3)38-25-33(42)32(20-26-12-6-4-7-13-26)39-35(44)28-21-27(34(43)37-16-11-19-41)22-30(23-28)40-17-8-5-9-18-40/h4,6-7,10,12-15,21-24,32-33,38,41-42H,5,8-9,11,16-20,25H2,1-3H3,(H,37,43)(H,39,44)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt 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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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)	BDBM50507801 (CHEMBL4533511) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCC(C)(C)O)N1CCCCC1 |r| Show InChI InChI=1S/C37H50N4O5/c1-36(2,45)25-38-34(43)27-20-28(22-30(21-27)41-17-10-7-11-18-41)35(44)40-32(19-26-13-8-6-9-14-26)33(42)24-39-37(3,4)29-15-12-16-31(23-29)46-5/h6,8-9,12-16,20-23,32-33,39,42,45H,7,10-11,17-19,24-25H2,1-5H3,(H,38,43)(H,40,44)/t32-,33+/m0/s1	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...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					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

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