Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50033114   

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
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339789 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-(4-methoxypheny...) Show SMILES COc1ccc(C[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM23971 ((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339790 ((S)-2-((2S,3R)-3-amino-4-(4-(benzyloxy)phenyl)-2-h...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339784 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES CCCC[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C16H24N2O4/c1-2-3-9-13(16(21)22)18-15(20)14(19)12(17)10-11-7-5-4-6-8-11/h4-8,12-14,19H,2-3,9-10,17H2,1H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339785 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N3O6/c25-19(15-17-9-3-1-4-10-17)21(28)22(29)27-20(23(30)31)13-7-8-14-26-24(32)33-16-18-11-5-2-6-12-18/h1-6,9-12,19-21,28H,7-8,13-16,25H2,(H,26,32)(H,27,29)(H,30,31)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339791 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-(naphthalen-2-y...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C20H26N2O4/c1-12(2)9-17(20(25)26)22-19(24)18(23)16(21)11-13-7-8-14-5-3-4-6-15(14)10-13/h3-8,10,12,16-18,23H,9,11,21H2,1-2H3,(H,22,24)(H,25,26)/t16-,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339792 ((S)-2-((2S,3R)-3-amino-2-hydroxyheptanamido)-4-met...) Show SMILES CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C13H26N2O4/c1-4-5-6-9(14)11(16)12(17)15-10(13(18)19)7-8(2)3/h8-11,16H,4-7,14H2,1-3H3,(H,15,17)(H,18,19)/t9-,10+,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339788 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H26N2O4/c26-21(15-17-7-3-1-4-8-17)23(28)24(29)27-22(25(30)31)16-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-23,28H,15-16,26H2,(H,27,29)(H,30,31)/t21-,22+,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339786 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C26H28N2O5/c27-22(15-18-7-3-1-4-8-18)24(29)25(30)28-23(26(31)32)16-19-11-13-21(14-12-19)33-17-20-9-5-2-6-10-20/h1-14,22-24,29H,15-17,27H2,(H,28,30)(H,31,32)/t22-,23+,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50339787 ((S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamid...) Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O4/c24-19(13-15-6-2-1-3-7-15)21(26)22(27)25-20(23(28)29)14-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19-21,26H,13-14,24H2,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorigenic substrate L-Leucyl-7-...				J Med Chem 54: 1655-66 (2011) Article DOI: 10.1021/jm101227t BindingDB Entry DOI: 10.7270/Q23X86ZX
					More data for this Ligand-Target Pair