Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Data curated solely by BindingDB

Found 93 hits of affinity data for UniProtKB/TrEMBL: P39898

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 16 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	0.5000	-52.55	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 15 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(2H-1,3-benzodioxol...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	0.5000	-52.55	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 13 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	0.8000	-51.40	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 16 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	1.300	-50.20	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 10 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	1.400	-50.02	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 69 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	2.000	-49.15	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 11 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-fluorophenyl)pro...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	2.500	-48.60	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Hydroxylethylamine deriv. 23 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	2.600	-48.50	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 27 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	3.400	-47.84	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 19 ((2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indany...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	3.700	-47.64	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 18 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-(cyclohexylme...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	3.900	-47.51	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 113 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	4.100	-47.39	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 22 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-cyclohexyl-3-...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	4.100	-47.39	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 18 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	4.400	-47.21	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 18 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	4.400	-47.21	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 53 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	4.700	-47.05	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 103 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	4.800	-47.00	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 15 ((3S,4S)-5-(benzyloxy)-N-[(1S)-1-{[(1S)-1-carbamoyl...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	5.400	-46.71	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 17 ((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-4-[(2...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	5.400	-46.71	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 12 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	5.800	-46.53	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 25 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	6.400	-46.29	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 20 ((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-N-[2-...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	6.700	-46.18	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 20 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	7.200	-46.00	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 24 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	8.100	-45.71	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 14 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(2,4-dimethoxypyrim...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	8.400	-45.63	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 21 ((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-4-[(2...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	8.900	-45.48	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 61 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	12.00	-44.75	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 101 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	12.00	-44.75	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 93 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	13.00	-44.55	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor A ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	16.00	-44.04	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 64 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	18.00	-43.76	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 118 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	20.00	-43.50	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 92 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	23.00	-43.15	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 17 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(3,5-dimethyl-1,2-o...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	23.00	-43.15	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 30 ((3S,4S)-5-(4-Bromobenzyloxy)-3-hydroxy-4-(2-thioph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	24.00	-43.05	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 68 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	24.00	-43.05	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 8 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS MMDB PC cid PC sid PDB	PubMed	25.00	-42.95	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 14 ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	27.00	-42.76	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 9 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-bromoprop-2-en-1-yl...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CHEBI CSLS PC cid PC sid	PubMed	27.00	-42.76	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 59 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	27.00	-42.76	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 31 ((3S,4S)-4-(2H-1,3-benzodioxol-5-ylformamido)-5-[(4...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	29.00	-42.58	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 51 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	29.00	-42.58	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 26 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	32.00	-42.34	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 22 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	32.00	-42.34	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 65 ((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	33.00	-42.27	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 111 ((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	35.00	-42.12	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	C2-symmetric compound 21 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	37.00	-41.99	n/a	n/a	n/a	4.5	22
Uppsala University					J Med Chem. 47: 110-22 (2004)
Plasmepsin I Plasmodium falciparum	Statine-like inhibitor 29 ((3S,4S)-5-(4-Bromobenzyloxy)-4-(3,3-diphenylpropio...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	40.00	-41.80	n/a	n/a	n/a	4.5	22
Linkoping University					J Med Chem. 47: 3353-66 (2004)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 96 ((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	42.00	-41.68	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)
Plasmepsin I Plasmodium falciparum	hydroxylethylamine scaffold 55 ((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)	GoogleScholar KEGG UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	46.00	-41.45	n/a	n/a	n/a	4.5	22
Uppsala University					J Comb Chem. 5: 456-64 (2003)

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