Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 1016   

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 I (Plasmodium falciparum)	BDBM8099 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H39F5N4O4/c1-22(2)37(48-31(50)18-17-27-32(40)34(42)36(44)35(43)33(27)41)39(52)47-28(19-23-9-5-3-6-10-23)30(49)21-46-29(38(45)51)20-24-13-15-26(16-14-24)25-11-7-4-8-12-25/h3-18,22,28-30,37,46,49H,19-21H2,1-2H3,(H2,45,51)(H,47,52)(H,48,50)/b18-17+/t28-,29-,30-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8084 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C35H42BrN5O4/c1-22(2)33(41-32(43)17-14-25-20-38-28-11-7-6-10-27(25)28)35(45)40-29(18-23-8-4-3-5-9-23)31(42)21-39-30(34(37)44)19-24-12-15-26(36)16-13-24/h3-13,15-16,20,22,29-31,33,38-39,42H,14,17-19,21H2,1-2H3,(H2,37,44)(H,40,45)(H,41,43)/t29-,30-,31-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8109 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C42H47N5O6/c1-26(2)40(47-39(49)19-17-31-23-44-33-11-7-6-10-32(31)33)42(51)46-34(20-27-8-4-3-5-9-27)36(48)24-45-35(41(43)50)21-28-12-14-29(15-13-28)30-16-18-37-38(22-30)53-25-52-37/h3-16,18,22-23,26,34-36,40,44-45,48H,17,19-21,24-25H2,1-2H3,(H2,43,50)(H,46,51)(H,47,49)/t34-,35-,36-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8108 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C38H48N4O6/c1-24(2)35(42-37(45)28-11-7-4-8-12-28)38(46)41-30(19-25-9-5-3-6-10-25)32(43)22-40-31(36(39)44)20-26-13-15-27(16-14-26)29-17-18-33-34(21-29)48-23-47-33/h3,5-6,9-10,13-18,21,24,28,30-32,35,40,43H,4,7-8,11-12,19-20,22-23H2,1-2H3,(H2,39,44)(H,41,46)(H,42,45)/t30-,31-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8092 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H48N4O4/c1-25(2)34(41-36(44)30-16-10-5-11-17-30)37(45)40-31(22-26-12-6-3-7-13-26)33(42)24-39-32(35(38)43)23-27-18-20-29(21-19-27)28-14-8-4-9-15-28/h3-4,6-9,12-15,18-21,25,30-34,39,42H,5,10-11,16-17,22-24H2,1-2H3,(H2,38,43)(H,40,45)(H,41,44)/t31-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8102 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C38H41N5O5/c1-24(2)35(43-37(46)29-13-8-9-19-40-29)38(47)42-30(20-25-10-4-3-5-11-25)32(44)23-41-31(36(39)45)21-26-15-17-27(18-16-26)34-22-28-12-6-7-14-33(28)48-34/h3-19,22,24,30-32,35,41,44H,20-21,23H2,1-2H3,(H2,39,45)(H,42,47)(H,43,46)/t30-,31-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8094 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H40N4O5/c1-23(2)32(39-34(42)28-17-18-44-22-28)35(43)38-29(19-24-9-5-3-6-10-24)31(40)21-37-30(33(36)41)20-25-13-15-27(16-14-25)26-11-7-4-8-12-26/h3-18,22-23,29-32,37,40H,19-21H2,1-2H3,(H2,36,41)(H,38,43)(H,39,42)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8115 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2cc3ccccc3o2)C(N)=O)c1OC |r| Show InChI InChI=1S/C41H46N4O7/c1-25(2)37(45-40(48)30-14-10-16-35(50-3)38(30)51-4)41(49)44-31(21-26-11-6-5-7-12-26)33(46)24-43-32(39(42)47)22-27-17-19-28(20-18-27)36-23-29-13-8-9-15-34(29)52-36/h5-20,23,25,31-33,37,43,46H,21-22,24H2,1-4H3,(H2,42,47)(H,44,49)(H,45,48)/t31-,32-,33-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8101 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C37H41N5O6/c1-23(2)34(42-36(45)28-10-6-7-17-39-28)37(46)41-29(18-24-8-4-3-5-9-24)31(43)21-40-30(35(38)44)19-25-11-13-26(14-12-25)27-15-16-32-33(20-27)48-22-47-32/h3-17,20,23,29-31,34,40,43H,18-19,21-22H2,1-2H3,(H2,38,44)(H,41,46)(H,42,45)/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8098 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)c1OC |r| Show InChI InChI=1S/C39H46N4O6/c1-25(2)35(43-38(46)30-16-11-17-34(48-3)36(30)49-4)39(47)42-31(22-26-12-7-5-8-13-26)33(44)24-41-32(37(40)45)23-27-18-20-29(21-19-27)28-14-9-6-10-15-28/h5-21,25,31-33,35,41,44H,22-24H2,1-4H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin I (Plasmodium falciparum)	BDBM8090 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C33H34BrF5N4O4/c1-17(2)31(43-25(45)13-12-21-26(35)28(37)30(39)29(38)27(21)36)33(47)42-22(14-18-6-4-3-5-7-18)24(44)16-41-23(32(40)46)15-19-8-10-20(34)11-9-19/h3-13,17,22-24,31,41,44H,14-16H2,1-2H3,(H2,40,46)(H,42,47)(H,43,45)/b13-12+/t22-,23-,24-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8082 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H43BrN4O4/c1-20(2)28(36-30(39)23-11-7-4-8-12-23)31(40)35-25(17-21-9-5-3-6-10-21)27(37)19-34-26(29(33)38)18-22-13-15-24(32)16-14-22/h3,5-6,9-10,13-16,20,23,25-28,34,37H,4,7-8,11-12,17-19H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t25-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8102 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C38H41N5O5/c1-24(2)35(43-37(46)29-13-8-9-19-40-29)38(47)42-30(20-25-10-4-3-5-11-25)32(44)23-41-31(36(39)45)21-26-15-17-27(18-16-26)34-22-28-12-6-7-14-33(28)48-34/h3-19,22,24,30-32,35,41,44H,20-21,23H2,1-2H3,(H2,39,45)(H,42,47)(H,43,46)/t30-,31-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8095 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H50N6O4/c1-4-14-38-35(27-46-49(38)34-19-12-7-13-20-34)42(52)48-40(29(2)3)43(53)47-36(25-30-15-8-5-9-16-30)39(50)28-45-37(41(44)51)26-31-21-23-33(24-22-31)32-17-10-6-11-18-32/h5-13,15-24,27,29,36-37,39-40,45,50H,4,14,25-26,28H2,1-3H3,(H2,44,51)(H,47,53)(H,48,52)/t36-,37-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8110 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C39H48N4O5/c1-25(2)36(43-38(46)29-13-7-4-8-14-29)39(47)42-31(21-26-11-5-3-6-12-26)33(44)24-41-32(37(40)45)22-27-17-19-28(20-18-27)35-23-30-15-9-10-16-34(30)48-35/h3,5-6,9-12,15-20,23,25,29,31-33,36,41,44H,4,7-8,13-14,21-22,24H2,1-2H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8105 ((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O6/c1-25(2)36(44-38(49)31-13-6-7-20-41-31)39(50)43-32(22-26-9-4-3-5-10-26)34(45)24-42-33(37(40)48)23-28-14-17-29(18-15-28)30-12-8-11-27(21-30)16-19-35(46)47/h3-21,25,32-34,36,42,45H,22-24H2,1-2H3,(H2,40,48)(H,43,50)(H,44,49)(H,46,47)/b19-16+/t32-,33-,34-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8110 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C39H48N4O5/c1-25(2)36(43-38(46)29-13-7-4-8-14-29)39(47)42-31(21-26-11-5-3-6-12-26)33(44)24-41-32(37(40)45)22-27-17-19-28(20-18-27)35-23-30-15-9-10-16-34(30)48-35/h3,5-6,9-12,15-20,23,25,29,31-33,36,41,44H,4,7-8,13-14,21-22,24H2,1-2H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8092 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H48N4O4/c1-25(2)34(41-36(44)30-16-10-5-11-17-30)37(45)40-31(22-26-12-6-3-7-13-26)33(42)24-39-32(35(38)43)23-27-18-20-29(21-19-27)28-14-8-4-9-15-28/h3-4,6-9,12-15,18-21,25,30-34,39,42H,5,10-11,16-17,22-24H2,1-2H3,(H2,38,43)(H,40,45)(H,41,44)/t31-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	-41.6	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8086 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C37H45BrN6O4/c1-4-11-32-29(22-41-44(32)28-14-9-6-10-15-28)36(47)43-34(24(2)3)37(48)42-30(20-25-12-7-5-8-13-25)33(45)23-40-31(35(39)46)21-26-16-18-27(38)19-17-26/h5-10,12-19,22,24,30-31,33-34,40,45H,4,11,20-21,23H2,1-3H3,(H2,39,46)(H,42,48)(H,43,47)/t30-,31-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8101 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C37H41N5O6/c1-23(2)34(42-36(45)28-10-6-7-17-39-28)37(46)41-29(18-24-8-4-3-5-9-24)31(43)21-40-30(35(38)44)19-25-11-13-26(14-12-25)27-15-16-32-33(20-27)48-22-47-32/h3-17,20,23,29-31,34,40,43H,18-19,21-22H2,1-2H3,(H2,38,44)(H,41,46)(H,42,45)/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin I (Plasmodium falciparum)	BDBM8112 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C37H40N4O6/c1-23(2)34(41-36(44)28-16-17-46-22-28)37(45)40-29(18-24-8-4-3-5-9-24)31(42)21-39-30(35(38)43)19-25-12-14-26(15-13-25)33-20-27-10-6-7-11-32(27)47-33/h3-17,20,22-23,29-31,34,39,42H,18-19,21H2,1-2H3,(H2,38,43)(H,40,45)(H,41,44)/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin I (Plasmodium falciparum)	BDBM8113 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C45H50N6O5/c1-4-13-38-35(27-48-51(38)34-17-9-6-10-18-34)44(54)50-42(29(2)3)45(55)49-36(24-30-14-7-5-8-15-30)39(52)28-47-37(43(46)53)25-31-20-22-32(23-21-31)41-26-33-16-11-12-19-40(33)56-41/h5-12,14-23,26-27,29,36-37,39,42,47,52H,4,13,24-25,28H2,1-3H3,(H2,46,53)(H,49,55)(H,50,54)/t36-,37-,39-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8097 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H41F3N4O5/c1-22(2)32(44-35(47)28-18-23(3)49-33(28)37(38,39)40)36(48)43-29(19-24-10-6-4-7-11-24)31(45)21-42-30(34(41)46)20-25-14-16-27(17-15-25)26-12-8-5-9-13-26/h4-18,22,29-32,42,45H,19-21H2,1-3H3,(H2,41,46)(H,43,48)(H,44,47)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8094 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H40N4O5/c1-23(2)32(39-34(42)28-17-18-44-22-28)35(43)38-29(19-24-9-5-3-6-10-24)31(40)21-37-30(33(36)41)20-25-13-15-27(16-14-25)26-11-7-4-8-12-26/h3-18,22-23,29-32,37,40H,19-21H2,1-2H3,(H2,36,41)(H,38,43)(H,39,42)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	-40.9	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8095 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C43H50N6O4/c1-4-14-38-35(27-46-49(38)34-19-12-7-13-20-34)42(52)48-40(29(2)3)43(53)47-36(25-30-15-8-5-9-16-30)39(50)28-45-37(41(44)51)26-31-21-23-33(24-22-31)32-17-10-6-11-18-32/h5-13,15-24,27,29,36-37,39-40,45,50H,4,14,25-26,28H2,1-3H3,(H2,44,51)(H,47,53)(H,48,52)/t36-,37-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	-40.7	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8091 ((2E)-N-[(1S)-1-{[(2S,3S)-4-{[(1S)-2-(4-bromophenyl...) Show SMILES CCOc1cccc(NC(=O)\C=C\C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(Br)cc2)C(N)=O)c1 |r| Show InChI InChI=1S/C36H44BrN5O6/c1-4-48-28-12-8-11-27(21-28)40-32(44)17-18-33(45)42-34(23(2)3)36(47)41-29(19-24-9-6-5-7-10-24)31(43)22-39-30(35(38)46)20-25-13-15-26(37)16-14-25/h5-18,21,23,29-31,34,39,43H,4,19-20,22H2,1-3H3,(H2,38,46)(H,40,44)(H,41,47)(H,42,45)/b18-17+/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM8109 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C42H47N5O6/c1-26(2)40(47-39(49)19-17-31-23-44-33-11-7-6-10-32(31)33)42(51)46-34(20-27-8-4-3-5-9-27)36(48)24-45-35(41(43)50)21-28-12-14-29(15-13-28)30-16-18-37-38(22-30)53-25-52-37/h3-16,18,22-23,26,34-36,40,44-45,48H,17,19-21,24-25H2,1-2H3,(H2,43,50)(H,46,51)(H,47,49)/t34-,35-,36-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8097 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C37H41F3N4O5/c1-22(2)32(44-35(47)28-18-23(3)49-33(28)37(38,39)40)36(48)43-29(19-24-10-6-4-7-11-24)31(45)21-42-30(34(41)46)20-25-14-16-27(17-15-25)26-12-8-5-9-13-26/h4-18,22,29-32,42,45H,19-21H2,1-3H3,(H2,41,46)(H,43,48)(H,44,47)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70	-40.4	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8093 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H42N6O4/c1-23(2)33(42-35(45)31-21-38-24(3)20-39-31)36(46)41-29(18-25-10-6-4-7-11-25)32(43)22-40-30(34(37)44)19-26-14-16-28(17-15-26)27-12-8-5-9-13-27/h4-17,20-21,23,29-30,32-33,40,43H,18-19,22H2,1-3H3,(H2,37,44)(H,41,46)(H,42,45)/t29-,30-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8115 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2cc3ccccc3o2)C(N)=O)c1OC |r| Show InChI InChI=1S/C41H46N4O7/c1-25(2)37(45-40(48)30-14-10-16-35(50-3)38(30)51-4)41(49)44-31(21-26-11-6-5-7-12-26)33(46)24-43-32(39(42)47)22-27-17-19-28(20-18-27)36-23-29-13-8-9-15-34(29)52-36/h5-20,23,25,31-33,37,43,46H,21-22,24H2,1-4H3,(H2,42,47)(H,44,49)(H,45,48)/t31-,32-,33-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8104 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-aceta...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)C(N)=O |r| Show InChI InChI=1S/C38H44N6O5/c1-24(2)35(44-37(48)31-14-7-8-19-40-31)38(49)43-32(20-26-10-5-4-6-11-26)34(46)23-41-33(36(39)47)21-27-15-17-28(18-16-27)29-12-9-13-30(22-29)42-25(3)45/h4-19,22,24,32-35,41,46H,20-21,23H2,1-3H3,(H2,39,47)(H,42,45)(H,43,49)(H,44,48)/t32-,33-,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8104 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-aceta...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)C(N)=O |r| Show InChI InChI=1S/C38H44N6O5/c1-24(2)35(44-37(48)31-14-7-8-19-40-31)38(49)43-32(20-26-10-5-4-6-11-26)34(46)23-41-33(36(39)47)21-27-15-17-28(18-16-27)29-12-9-13-30(22-29)42-25(3)45/h4-19,22,24,32-35,41,46H,20-21,23H2,1-3H3,(H2,39,47)(H,42,45)(H,43,49)(H,44,48)/t32-,33-,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8108 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...) Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r| Show InChI InChI=1S/C38H48N4O6/c1-24(2)35(42-37(45)28-11-7-4-8-12-28)38(46)41-30(19-25-9-5-3-6-10-25)32(43)22-40-31(36(39)44)20-26-13-15-27(16-14-26)29-17-18-33-34(21-29)48-23-47-33/h3,5-6,9-10,13-18,21,24,28,30-32,35,40,43H,4,7-8,11-12,19-20,22-23H2,1-2H3,(H2,39,44)(H,41,46)(H,42,45)/t30-,31-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM8098 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)c1OC |r| Show InChI InChI=1S/C39H46N4O6/c1-25(2)35(43-38(46)30-16-11-17-34(48-3)36(30)49-4)39(47)42-31(22-26-12-7-5-8-13-26)33(44)24-41-32(37(40)45)23-27-18-20-29(21-19-27)28-14-9-6-10-15-28/h5-21,25,31-33,35,41,44H,22-24H2,1-4H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-39.3	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin II (Plasmodium falciparum)	BDBM8112 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C37H40N4O6/c1-23(2)34(41-36(44)28-16-17-46-22-28)37(45)40-29(18-24-8-4-3-5-9-24)31(42)21-39-30(35(38)43)19-25-12-14-26(15-13-25)33-20-27-10-6-7-11-32(27)47-33/h3-17,20,22-23,29-31,34,39,42H,18-19,21H2,1-2H3,(H2,38,43)(H,40,45)(H,41,44)/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8105 ((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O6/c1-25(2)36(44-38(49)31-13-6-7-20-41-31)39(50)43-32(22-26-9-4-3-5-10-26)34(45)24-42-33(37(40)48)23-28-14-17-29(18-15-28)30-12-8-11-27(21-30)16-19-35(46)47/h3-21,25,32-34,36,42,45H,22-24H2,1-2H3,(H2,40,48)(H,43,50)(H,44,49)(H,46,47)/b19-16+/t32-,33-,34-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8099 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H39F5N4O4/c1-22(2)37(48-31(50)18-17-27-32(40)34(42)36(44)35(43)33(27)41)39(52)47-28(19-23-9-5-3-6-10-23)30(49)21-46-29(38(45)51)20-24-13-15-26(16-14-24)25-11-7-4-8-12-25/h3-18,22,28-30,37,46,49H,19-21H2,1-2H3,(H2,45,51)(H,47,52)(H,48,50)/b18-17+/t28-,29-,30-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8088 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H36BrF3N4O5/c1-17(2)26(39-29(42)22-13-18(3)44-27(22)31(33,34)35)30(43)38-23(14-19-7-5-4-6-8-19)25(40)16-37-24(28(36)41)15-20-9-11-21(32)12-10-20/h4-13,17,23-26,37,40H,14-16H2,1-3H3,(H2,36,41)(H,38,43)(H,39,42)/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8107 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-cyclopen...) Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)C1CCCC1)C(N)=O |r| Show InChI InChI=1S/C35H45N5O4/c1-23(2)32(40-34(43)28-14-8-9-19-37-28)35(44)39-29(20-24-10-4-3-5-11-24)31(41)22-38-30(33(36)42)21-25-15-17-27(18-16-25)26-12-6-7-13-26/h3-5,8-11,14-19,23,26,29-32,38,41H,6-7,12-13,20-22H2,1-2H3,(H2,36,42)(H,39,44)(H,40,43)/t29-,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8113 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C45H50N6O5/c1-4-13-38-35(27-48-51(38)34-17-9-6-10-18-34)44(54)50-42(29(2)3)45(55)49-36(24-30-14-7-5-8-15-30)39(52)28-47-37(43(46)53)25-31-20-22-32(23-21-31)41-26-33-16-11-12-19-40(33)56-41/h5-12,14-23,26-27,29,36-37,39,42,47,52H,4,13,24-25,28H2,1-3H3,(H2,46,53)(H,49,55)(H,50,54)/t36-,37-,39-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8084 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C35H42BrN5O4/c1-22(2)33(41-32(43)17-14-25-20-38-28-11-7-6-10-27(25)28)35(45)40-29(18-23-8-4-3-5-9-23)31(42)21-39-30(34(37)44)19-24-12-15-26(36)16-13-24/h3-13,15-16,20,22,29-31,33,38-39,42H,14,17-19,21H2,1-2H3,(H2,37,44)(H,40,45)(H,41,43)/t29-,30-,31-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	-38.7	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8096 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)C=Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r,w:7.6| Show InChI InChI=1S/C36H42N6O4/c1-24(2)34(42-33(44)18-17-29-21-38-23-40-29)36(46)41-30(19-25-9-5-3-6-10-25)32(43)22-39-31(35(37)45)20-26-13-15-28(16-14-26)27-11-7-4-8-12-27/h3-18,21,23-24,30-32,34,39,43H,19-20,22H2,1-2H3,(H2,37,45)(H,38,40)(H,41,46)(H,42,44)/t30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8096 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...) Show SMILES CC(C)[C@H](NC(=O)C=Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r,w:7.6| Show InChI InChI=1S/C36H42N6O4/c1-24(2)34(42-33(44)18-17-29-21-38-23-40-29)36(46)41-30(19-25-9-5-3-6-10-25)32(43)22-39-31(35(37)45)20-26-13-15-28(16-14-26)27-11-7-4-8-12-27/h3-18,21,23-24,30-32,34,39,43H,19-20,22H2,1-2H3,(H2,37,45)(H,38,40)(H,41,46)(H,42,44)/t30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	4.5	22
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8114 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C39H41F3N4O6/c1-22(2)34(46-37(49)28-17-23(3)51-35(28)39(40,41)42)38(50)45-29(18-24-9-5-4-6-10-24)31(47)21-44-30(36(43)48)19-25-13-15-26(16-14-25)33-20-27-11-7-8-12-32(27)52-33/h4-17,20,22,29-31,34,44,47H,18-19,21H2,1-3H3,(H2,43,48)(H,45,50)(H,46,49)/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8114 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C39H41F3N4O6/c1-22(2)34(46-37(49)28-17-23(3)51-35(28)39(40,41)42)38(50)45-29(18-24-9-5-4-6-10-24)31(47)21-44-30(36(43)48)19-25-13-15-26(16-14-25)33-20-27-11-7-8-12-32(27)52-33/h4-17,20,22,29-31,34,44,47H,18-19,21H2,1-3H3,(H2,43,48)(H,45,50)(H,46,49)/t29-,30-,31-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8100 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2,4-dim...) Show SMILES COc1ncc(-c2ccc(C[C@H](NC[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)C(N)=O)cc2)c(OC)n1 |r| Show InChI InChI=1S/C36H43N7O6/c1-22(2)31(42-33(46)27-12-8-9-17-38-27)34(47)41-28(18-23-10-6-5-7-11-23)30(44)21-39-29(32(37)45)19-24-13-15-25(16-14-24)26-20-40-36(49-4)43-35(26)48-3/h5-17,20,22,28-31,39,44H,18-19,21H2,1-4H3,(H2,37,45)(H,41,47)(H,42,46)/t28-,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM8089 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...) Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(Br)cc2)C(N)=O)c1OC |r| Show InChI InChI=1S/C33H41BrN4O6/c1-20(2)29(38-32(41)24-11-8-12-28(43-3)30(24)44-4)33(42)37-25(17-21-9-6-5-7-10-21)27(39)19-36-26(31(35)40)18-22-13-15-23(34)16-14-22/h5-16,20,25-27,29,36,39H,17-19H2,1-4H3,(H2,35,40)(H,37,42)(H,38,41)/t25-,26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Cathepsin D (Homo sapiens (Human))	BDBM8111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r| Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...				J Comb Chem 5: 456-64 (2003) Article DOI: 10.1021/cc0301014 BindingDB Entry DOI: 10.7270/Q27S7KZZ
					More data for this Ligand-Target Pair

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