Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'azim' and Initial = 'mk'   

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
Carbonic anhydrase 2 (Bos taurus)	BDBM222435 (N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...) Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222429 (N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222428 (N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222431 (N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...) Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222430 (N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1 Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222433 (N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...) Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50377587 (CHEMBL404394) Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12 Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377587 (CHEMBL404394) Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12 Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D by FRET assay				Bioorg Med Chem Lett 18: 3011-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.060 BindingDB Entry DOI: 10.7270/Q2TT4RV5
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233139 (2-Nitrobenzohydrazide | Mr-I-53b) Show SMILES NNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233141 (1,2-Diphenylhydrazine | Mr-II-10) Show SMILES N(Nc1ccccc1)c1ccccc1 Show InChI InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233138 (Butanohydrazide | Mr-I-33) Show SMILES CCCC(=O)NN Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233139 (2-Nitrobenzohydrazide | Mr-I-53b) Show SMILES NNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C7H7N3O3/c8-9-7(11)5-3-1-2-4-6(5)10(12)13/h1-4H,8H2,(H,9,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222428 (N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233140 (2-Nitrobenzohydrazide | Mr-I-179) Show SMILES NNC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222430 (N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1 Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233138 (Butanohydrazide | Mr-I-33) Show SMILES CCCC(=O)NN Show InChI InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233142 (1,2-Dipyridinylhydrazine | Mr-II-80) Show SMILES N(Nc1ccncc1)c1ccncc1 Show InChI InChI=1S/C10H10N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,(H,11,13)(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222435 (N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...) Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50001676 (CHEMBL3237776 | Mr-I-27) Show SMILES COc1ccccc1C(=O)NN Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM233140 (2-Nitrobenzohydrazide | Mr-I-179) Show SMILES NNC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50001676 (CHEMBL3237776 | Mr-I-27) Show SMILES COc1ccccc1C(=O)NN Show InChI InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222429 (N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362536 (CHEMBL1941013) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222431 (N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...) Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222433 (N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...) Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233141 (1,2-Diphenylhydrazine | Mr-II-10) Show SMILES N(Nc1ccccc1)c1ccccc1 Show InChI InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM233142 (1,2-Dipyridinylhydrazine | Mr-II-80) Show SMILES N(Nc1ccncc1)c1ccncc1 Show InChI InChI=1S/C10H10N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,(H,11,13)(H,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	5.0	n/a
University of Karachi					Assay Description The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 μM) in 0.1 M sodium acetate buffer pH 5, contai...				J Enzyme Inhib Med Chem 25: 673-8 (2010) Article DOI: 10.3109/14756360903508430 BindingDB Entry DOI: 10.7270/Q29885WX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222434 (N'',N'''-Bis[(E)-(2,4-dichlorophenyl)methylide...) Show SMILES Clc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-9(13(18)5-11)7-20-22-15(24)23-21-8-10-2-4-12(17)6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222432 (N'',N'''-Bis[(E)-(2-bromophenyl)methylidene]ca...) Show SMILES Brc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Br Show InChI InChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362533 (CHEMBL1941010) Show SMILES Fc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14FN3O/c21-15-10-8-14(9-11-15)19(25)13-24-18-7-2-1-5-16(18)23-20(24)17-6-3-4-12-22-17/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362535 (CHEMBL1941012) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C20H15N3O/c24-19(15-8-2-1-3-9-15)14-23-18-12-5-4-10-16(18)22-20(23)17-11-6-7-13-21-17/h1-13H,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362537 (CHEMBL1941014) Show SMILES COc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C21H17N3O2/c1-26-16-11-9-15(10-12-16)20(25)14-24-19-8-3-2-6-17(19)23-21(24)18-7-4-5-13-22-18/h2-13H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362536 (CHEMBL1941013) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H19N3O/c30-25(21-15-13-20(14-16-21)19-8-2-1-3-9-19)18-29-24-12-5-4-10-22(24)28-26(29)23-11-6-7-17-27-23/h1-17H,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362532 (CHEMBL1941009) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-8-10-15(11-9-14)24(26)27)13-23-18-7-2-1-5-16(18)22-20(23)17-6-3-4-12-21-17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362529 (CHEMBL1941006) Show SMILES Oc1ccc(cc1O)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H15N3O3/c24-17-9-8-13(11-18(17)25)19(26)12-23-16-7-2-1-5-14(16)22-20(23)15-6-3-4-10-21-15/h1-11,24-25H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362528 (CHEMBL1941005) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-6-5-7-15(12-14)24(26)27)13-23-18-10-2-1-8-16(18)22-20(23)17-9-3-4-11-21-17/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362530 (CHEMBL1941007) Show SMILES Clc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14ClN3O/c21-15-10-8-14(9-11-15)19(25)13-24-18-7-2-1-5-16(18)23-20(24)17-6-3-4-12-22-17/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362528 (CHEMBL1941005) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-6-5-7-15(12-14)24(26)27)13-23-18-10-2-1-8-16(18)22-20(23)17-9-3-4-11-21-17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362538 (CHEMBL1941015) Show SMILES COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C22H19N3O3/c1-27-15-10-11-21(28-2)16(13-15)20(26)14-25-19-9-4-3-7-17(19)24-22(25)18-8-5-6-12-23-18/h3-13H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362529 (CHEMBL1941006) Show SMILES Oc1ccc(cc1O)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H15N3O3/c24-17-9-8-13(11-18(17)25)19(26)12-23-16-7-2-1-5-14(16)22-20(23)15-6-3-4-10-21-15/h1-11,24-25H,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362532 (CHEMBL1941009) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-8-10-15(11-9-14)24(26)27)13-23-18-7-2-1-5-16(18)22-20(23)17-6-3-4-12-21-17/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362531 (CHEMBL1941008) Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-7-1-3-10-17(14)24(26)27)13-23-18-11-4-2-8-15(18)22-20(23)16-9-5-6-12-21-16/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362530 (CHEMBL1941007) Show SMILES Clc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14ClN3O/c21-15-10-8-14(9-11-15)19(25)13-24-18-7-2-1-5-16(18)23-20(24)17-6-3-4-12-22-17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362533 (CHEMBL1941010) Show SMILES Fc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14FN3O/c21-15-10-8-14(9-11-15)19(25)13-24-18-7-2-1-5-16(18)23-20(24)17-6-3-4-12-22-17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362538 (CHEMBL1941015) Show SMILES COc1ccc(OC)c(c1)C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C22H19N3O3/c1-27-15-10-11-21(28-2)16(13-15)20(26)14-25-19-9-4-3-7-17(19)24-22(25)18-8-5-6-12-23-18/h3-13H,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair

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