Compile Data Set for Download or QSAR

Found 265 hits with Last Name = 'kvarnström' and Initial = 'i'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50066918 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30+,31+,32-,33-,34-,35-,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay				J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169100 (CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)16-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-11-25(12-10-24)26-13-15-50-20-26)41-36(48)32(22(3)4)42-35(47)27-8-6-7-14-38-27/h6-15,20-23,28-30,32,43H,16-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169098 (CHEMBL264770 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C38H50N6O7/c1-23(2)19-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-14-16-28(17-15-26)27-11-7-6-8-12-27)43-38(50)34(24(3)4)44-37(49)29-13-9-10-18-40-29/h6-18,23-25,30-32,34,45H,19-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM348 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C32H46N4O8/c1-19(2)23(29(39)33-5)35-31(41)27(43-17-21-13-9-7-10-14-21)25(37)26(38)28(44-18-22-15-11-8-12-16-22)32(42)36-24(20(3)4)30(40)34-6/h7-16,19-20,23-28,37-38H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)/t23-,24-,25+,26+,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay				J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169104 (CHEMBL371417 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)15-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-8-10-25(16-24)26-12-14-50-20-26)41-36(48)32(22(3)4)42-35(47)27-11-6-7-13-38-27/h6-14,16,20-23,28-30,32,43H,15,17-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169103 (CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C39H50N6O9/c1-22(2)16-29(36(40)48)43-37(49)24(5)42-34(47)18-31(46)30(44-39(51)35(23(3)4)45-38(50)28-8-6-7-15-41-28)20-52-19-25-9-11-26(12-10-25)27-13-14-32-33(17-27)54-21-53-32/h6-15,17,22-24,29-31,35,46H,16,18-21H2,1-5H3,(H2,40,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t24-,29-,30-,31-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM7974 ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C31H44N6O6/c1-18(2)15-24(28(32)40)36-29(41)20(5)34-26(39)17-25(38)23(16-21-11-7-6-8-12-21)35-31(43)27(19(3)4)37-30(42)22-13-9-10-14-33-22/h6-14,18-20,23-25,27,38H,15-17H2,1-5H3,(H2,32,40)(H,34,39)(H,35,43)(H,36,41)(H,37,42)/t20-,23-,24-,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169103 (CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C39H50N6O9/c1-22(2)16-29(36(40)48)43-37(49)24(5)42-34(47)18-31(46)30(44-39(51)35(23(3)4)45-38(50)28-8-6-7-15-41-28)20-52-19-25-9-11-26(12-10-25)27-13-14-32-33(17-27)54-21-53-32/h6-15,17,22-24,29-31,35,46H,16,18-21H2,1-5H3,(H2,40,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t24-,29-,30-,31-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169106 (CHEMBL363286 | Pyridine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C38H50N6O7/c1-23(2)18-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-12-11-15-28(19-26)27-13-7-6-8-14-27)43-38(50)34(24(3)4)44-37(49)29-16-9-10-17-40-29/h6-17,19,23-25,30-32,34,45H,18,20-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50066915 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) Show SMILES CC[C@H](C)C(NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC([C@H](C)CC)C(=O)NC)C(=O)NC Show InChI InChI=1S/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22+,25?,26?,27-,28-,29-,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay				J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169098 (CHEMBL264770 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C38H50N6O7/c1-23(2)19-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-14-16-28(17-15-26)27-11-7-6-8-12-27)43-38(50)34(24(3)4)44-37(49)29-13-9-10-18-40-29/h6-18,23-25,30-32,34,45H,19-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin I (Plasmodium falciparum)	BDBM50169105 (CHEMBL370086 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C31H40N4O5S/c1-4-5-14-33-28(37)17-27(36)26(19-40-18-22-9-11-23(12-10-22)24-13-16-41-20-24)34-31(39)29(21(2)3)35-30(38)25-8-6-7-15-32-25/h6-13,15-16,20-21,26-27,29,36H,4-5,14,17-19H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169109 (CHEMBL190290 | Pyridine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(Br)c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)13-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-8-10-22(33)14-21)38-32(45)28(19(3)4)39-31(44)23-11-6-7-12-35-23/h6-12,14,18-20,24-26,28,40H,13,15-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169103 (CHEMBL191130 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C39H50N6O9/c1-22(2)16-29(36(40)48)43-37(49)24(5)42-34(47)18-31(46)30(44-39(51)35(23(3)4)45-38(50)28-8-6-7-15-41-28)20-52-19-25-9-11-26(12-10-25)27-13-14-32-33(17-27)54-21-53-32/h6-15,17,22-24,29-31,35,46H,16,18-21H2,1-5H3,(H2,40,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t24-,29-,30-,31-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169100 (CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)16-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-11-25(12-10-24)26-13-15-50-20-26)41-36(48)32(22(3)4)42-35(47)27-8-6-7-14-38-27/h6-15,20-23,28-30,32,43H,16-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169104 (CHEMBL371417 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)15-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-8-10-25(16-24)26-12-14-50-20-26)41-36(48)32(22(3)4)42-35(47)27-11-6-7-13-38-27/h6-14,16,20-23,28-30,32,43H,15,17-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169104 (CHEMBL371417 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)15-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-8-10-25(16-24)26-12-14-50-20-26)41-36(48)32(22(3)4)42-35(47)27-11-6-7-13-38-27/h6-14,16,20-23,28-30,32,43H,15,17-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169110 (CHEMBL364630 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C33H42N4O5/c1-4-5-18-35-30(39)20-29(38)28(22-42-21-24-14-16-26(17-15-24)25-11-7-6-8-12-25)36-33(41)31(23(2)3)37-32(40)27-13-9-10-19-34-27/h6-17,19,23,28-29,31,38H,4-5,18,20-22H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169112 (CHEMBL371082 | N-[(1S,2S)-3-[(S)-1-((S)-1-Carbamoy...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C32H37F3N4O6S/c1-17(2)10-25(30(36)42)38-31(43)18(3)37-28(41)13-27(40)26(39-32(44)29-23(34)11-22(33)12-24(29)35)15-45-14-19-4-6-20(7-5-19)21-8-9-46-16-21/h4-9,11-12,16-18,25-27,40H,10,13-15H2,1-3H3,(H2,36,42)(H,37,41)(H,38,43)(H,39,44)/t18-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50066919 ((2R,3R,4R,5R)-2,5-Bis-benzyloxy-3,4-dihydroxy-hexa...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H](C(=O)NC)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C38H42N4O8/c1-39-35(45)29(27-19-11-5-12-20-27)41-37(47)33(49-23-25-15-7-3-8-16-25)31(43)32(44)34(50-24-26-17-9-4-10-18-26)38(48)42-30(36(46)40-2)28-21-13-6-14-22-28/h3-22,29-34,43-44H,23-24H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t29-,30-,31+,32+,33+,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV-1 protease expressed in E. coli in sensitive fluorometric assay				J Med Chem 41: 3782-92 (1998) Article DOI: 10.1021/jm970777b BindingDB Entry DOI: 10.7270/Q2PK0F93
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169098 (CHEMBL264770 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C38H50N6O7/c1-23(2)19-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-14-16-28(17-15-26)27-11-7-6-8-12-27)43-38(50)34(24(3)4)44-37(49)29-13-9-10-18-40-29/h6-18,23-25,30-32,34,45H,19-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169113 (CHEMBL371182 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C34H42N4O7/c1-4-5-15-36-31(40)18-28(39)27(37-34(42)32(22(2)3)38-33(41)26-8-6-7-16-35-26)20-43-19-23-9-11-24(12-10-23)25-13-14-29-30(17-25)45-21-44-29/h6-14,16-17,22,27-28,32,39H,4-5,15,18-21H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM346 ((3R,4S,5S,6R)-4,5-dihydroxy-2,7-bis({[4-(hydroxyme...) Show SMILES OCc1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1 |r| Show InChI InChI=1S/C34H38N2O8S/c37-21-27-15-11-25(12-16-27)19-35-31(23-43-29-7-3-1-4-8-29)33(39)34(40)32(24-44-30-9-5-2-6-10-30)36(45(35,41)42)20-26-13-17-28(22-38)18-14-26/h1-18,31-34,37-40H,19-24H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease expressed in Escherichia coli				J Med Chem 42: 4054-61 (1999) BindingDB Entry DOI: 10.7270/Q2C53K2T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169100 (CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)16-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-11-25(12-10-24)26-13-15-50-20-26)41-36(48)32(22(3)4)42-35(47)27-8-6-7-14-38-27/h6-15,20-23,28-30,32,43H,16-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50169102 (CHEMBL189976 | N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C35H39F3N4O8/c1-18(2)10-26(33(39)45)41-34(46)19(3)40-31(44)14-28(43)27(42-35(47)32-24(37)12-23(36)13-25(32)38)16-48-15-20-4-6-21(7-5-20)22-8-9-29-30(11-22)50-17-49-29/h4-9,11-13,18-19,26-28,43H,10,14-17H2,1-3H3,(H2,39,45)(H,40,44)(H,41,46)(H,42,47)/t19-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50081545 (1-{3-[(3R,4S,5S,6R)-4,5-Dihydroxy-7-(3-{1-[(Z)-hyd...) Show SMILES CC(N=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)N=O)S2(=O)=O)c1 Show InChI InChI=1S/C36H40N4O8S/c1-25(37-43)29-13-9-11-27(19-29)21-39-33(23-47-31-15-5-3-6-16-31)35(41)36(42)34(24-48-32-17-7-4-8-18-32)40(49(39,45)46)22-28-12-10-14-30(20-28)26(2)38-44/h3-20,25-26,33-36,41-42H,21-24H2,1-2H3/t25?,26?,33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease expressed in Escherichia coli				J Med Chem 42: 4054-61 (1999) BindingDB Entry DOI: 10.7270/Q2C53K2T
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM7988 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O |r| Show InChI InChI=1S/C28H34BrF3N4O6/c1-14(2)8-21(26(33)39)35-27(40)15(3)34-24(38)11-23(37)22(13-42-12-16-4-6-17(29)7-5-16)36-28(41)25-19(31)9-18(30)10-20(25)32/h4-7,9-10,14-15,21-23,37H,8,11-13H2,1-3H3,(H2,33,39)(H,34,38)(H,35,40)(H,36,41)/t15-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169106 (CHEMBL363286 | Pyridine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C38H50N6O7/c1-23(2)18-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-12-11-15-28(19-26)27-13-7-6-8-14-27)43-38(50)34(24(3)4)44-37(49)29-16-9-10-17-40-29/h6-17,19,23-25,30-32,34,45H,18,20-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM8019 (2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C33H40ClN3O5/c1-41-28-12-10-24(11-13-28)16-19-37(33(40)26-14-17-35-18-15-26)22-31(38)30(20-25-6-3-2-4-7-25)36-32(39)23-42-29-9-5-8-27(34)21-29/h2-13,21,26,30-31,35,38H,14-20,22-23H2,1H3,(H,36,39)/t30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169106 (CHEMBL363286 | Pyridine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C38H50N6O7/c1-23(2)18-30(35(39)47)42-36(48)25(5)41-33(46)20-32(45)31(22-51-21-26-12-11-15-28(19-26)27-13-7-6-8-14-27)43-38(50)34(24(3)4)44-37(49)29-16-9-10-17-40-29/h6-17,19,23-25,30-32,34,45H,18,20-22H2,1-5H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t25-,30-,31-,32-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169109 (CHEMBL190290 | Pyridine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(Br)c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)13-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-8-10-22(33)14-21)38-32(45)28(19(3)4)39-31(44)23-11-6-7-12-35-23/h6-12,14,18-20,24-26,28,40H,13,15-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair				3D Structure (docked)
Plasmepsin I (Plasmodium falciparum)	BDBM50169111 (CHEMBL365935 | N-{(1S,2S)-1-(Biphenyl-4-ylmethoxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C34H39F3N4O6/c1-19(2)13-27(32(38)44)40-33(45)20(3)39-30(43)16-29(42)28(41-34(46)31-25(36)14-24(35)15-26(31)37)18-47-17-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-12,14-15,19-20,27-29,42H,13,16-18H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)(H,41,46)/t20-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM7985 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C |r| Show InChI InChI=1S/C27H37BrN4O5/c1-4-5-13-30-24(34)15-23(33)22(17-37-16-19-9-11-20(28)12-10-19)31-27(36)25(18(2)3)32-26(35)21-8-6-7-14-29-21/h6-12,14,18,22-23,25,33H,4-5,13,15-17H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t22-,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM7988 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O |r| Show InChI InChI=1S/C28H34BrF3N4O6/c1-14(2)8-21(26(33)39)35-27(40)15(3)34-24(38)11-23(37)22(13-42-12-16-4-6-17(29)7-5-16)36-28(41)25-19(31)9-18(30)10-20(25)32/h4-7,9-10,14-15,21-23,37H,8,11-13H2,1-3H3,(H2,33,39)(H,34,38)(H,35,40)(H,36,41)/t15-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169105 (CHEMBL370086 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C31H40N4O5S/c1-4-5-14-33-28(37)17-27(36)26(19-40-18-22-9-11-23(12-10-22)24-13-16-41-20-24)34-31(39)29(21(2)3)35-30(38)25-8-6-7-15-32-25/h6-13,15-16,20-21,26-27,29,36H,4-5,14,17-19H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t26-,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274090 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C40H57F2N5O10S/c1-22(2)33(36(51)43-20-24-10-12-25(13-11-24)38(53)55-8)46-32(49)19-31(48)30(21-56-28-17-26(41)16-27(42)18-28)45-35(50)29(14-15-58-9)44-37(52)34(23(3)4)47-39(54)57-40(5,6)7/h10-13,16-18,22-23,29-31,33-34,48H,14-15,19-21H2,1-9H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)(H,47,54)/t29-,30-,31-,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM7974 ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C31H44N6O6/c1-18(2)15-24(28(32)40)36-29(41)20(5)34-26(39)17-25(38)23(16-21-11-7-6-8-12-21)35-31(43)27(19(3)4)37-30(42)22-13-9-10-14-33-22/h6-14,18-20,23-25,27,38H,15-17H2,1-5H3,(H2,32,40)(H,34,39)(H,35,43)(H,36,41)(H,37,42)/t20-,23-,24-,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169110 (CHEMBL364630 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C33H42N4O5/c1-4-5-18-35-30(39)20-29(38)28(22-42-21-24-14-16-26(17-15-24)25-11-7-6-8-12-25)36-33(41)31(23(2)3)37-32(40)27-13-9-10-19-34-27/h6-17,19,23,28-29,31,38H,4-5,18,20-22H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t28-,29-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169102 (CHEMBL189976 | N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C35H39F3N4O8/c1-18(2)10-26(33(39)45)41-34(46)19(3)40-31(44)14-28(43)27(42-35(47)32-24(37)12-23(36)13-25(32)38)16-48-15-20-4-6-21(7-5-20)22-8-9-29-30(11-22)50-17-49-29/h4-9,11-13,18-19,26-28,43H,10,14-17H2,1-3H3,(H2,39,45)(H,40,44)(H,41,46)(H,42,47)/t19-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1163 ((3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6S/c35-31-29(23-39-27-17-9-3-10-18-27)33(21-25-13-5-1-6-14-25)41(37,38)34(22-26-15-7-2-8-16-26)30(32(31)36)24-40-28-19-11-4-12-20-28/h1-20,29-32,35-36H,21-24H2/t29-,30-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease expressed in Escherichia coli				J Med Chem 42: 4054-61 (1999) BindingDB Entry DOI: 10.7270/Q2C53K2T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM7974 ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C31H44N6O6/c1-18(2)15-24(28(32)40)36-29(41)20(5)34-26(39)17-25(38)23(16-21-11-7-6-8-12-21)35-31(43)27(19(3)4)37-30(42)22-13-9-10-14-33-22/h6-14,18-20,23-25,27,38H,15-17H2,1-5H3,(H2,32,40)(H,34,39)(H,35,43)(H,36,41)(H,37,42)/t20-,23-,24-,25-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50274091 (4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C39H55F2N5O10S/c1-21(2)32(35(50)42-19-23-9-11-24(12-10-23)37(52)53)45-31(48)18-30(47)29(20-55-27-16-25(40)15-26(41)17-27)44-34(49)28(13-14-57-8)43-36(51)33(22(3)4)46-38(54)56-39(5,6)7/h9-12,15-17,21-22,28-30,32-33,47H,13-14,18-20H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)(H,45,48)(H,46,54)(H,52,53)/t28-,29-,30-,32-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50169109 (CHEMBL190290 | Pyridine-2-carboxylic acid ((S)-1-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(Br)c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)13-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-8-10-22(33)14-21)38-32(45)28(19(3)4)39-31(44)23-11-6-7-12-35-23/h6-12,14,18-20,24-26,28,40H,13,15-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM344 ((3R,4S,5S,6R)-4,5-dihydroxy-2,7-bis({[3-(2-hydroxy...) Show SMILES OCCc1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(CCO)c3)S2(=O)=O)c1 |r| Show InChI InChI=1S/C36H42N2O8S/c39-19-17-27-9-7-11-29(21-27)23-37-33(25-45-31-13-3-1-4-14-31)35(41)36(42)34(26-46-32-15-5-2-6-16-32)38(47(37,43)44)24-30-12-8-10-28(22-30)18-20-40/h1-16,21-22,33-36,39-42H,17-20,23-26H2/t33-,34-,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease expressed in Escherichia coli				J Med Chem 42: 4054-61 (1999) BindingDB Entry DOI: 10.7270/Q2C53K2T
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169113 (CHEMBL371182 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Show InChI InChI=1S/C34H42N4O7/c1-4-5-15-36-31(40)18-28(39)27(37-34(42)32(22(2)3)38-33(41)26-8-6-7-16-35-26)20-43-19-23-9-11-24(12-10-23)25-13-14-29-30(17-25)45-21-44-29/h6-14,16-17,22,27-28,32,39H,4-5,15,18-21H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169111 (CHEMBL365935 | N-{(1S,2S)-1-(Biphenyl-4-ylmethoxym...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccccc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C34H39F3N4O6/c1-19(2)13-27(32(38)44)40-33(45)20(3)39-30(43)16-29(42)28(41-34(46)31-25(36)14-24(35)15-26(31)37)18-47-17-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-12,14-15,19-20,27-29,42H,13,16-18H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)(H,41,46)/t20-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50169112 (CHEMBL371082 | N-[(1S,2S)-3-[(S)-1-((S)-1-Carbamoy...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C32H37F3N4O6S/c1-17(2)10-25(30(36)42)38-31(43)18(3)37-28(41)13-27(40)26(39-32(44)29-23(34)11-22(33)12-24(29)35)15-45-14-19-4-6-20(7-5-19)21-8-9-46-16-21/h4-9,11-12,16-18,25-27,40H,10,13-15H2,1-3H3,(H2,36,42)(H,37,41)(H,38,43)(H,39,44)/t18-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
					More data for this Ligand-Target Pair

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