Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'drinkwater' and Initial = 'n'   

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
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497551 (CHEMBL3359700) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497552 (CHEMBL3359698) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497556 (CHEMBL3359699) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497548 (CHEMBL3359691) Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497549 (CHEMBL3359690) Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497545 (CHEMBL3359697) Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497547 (CHEMBL3359694) Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497557 (CHEMBL3359692) Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497546 (CHEMBL3359695) Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13014 (7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...) Show SMILES Clc1ccc2CCNCc2c1Cl Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	3.10	-50.5	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Kansas					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497545 (CHEMBL3359697) Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528308 (CHEMBL4460082) Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H18F3N3O5S/c1-34(32,33)28-16-8-6-14(7-9-16)21(29)26-20(22(30)27-31)13-4-2-12(3-5-13)15-10-17(23)19(25)18(24)11-15/h2-11,20,28,31H,1H3,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497556 (CHEMBL3359699) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497551 (CHEMBL3359700) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528311 (CHEMBL4448936) Show SMILES NS(=O)(=O)Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H17F3N4O5S/c22-16-9-14(10-17(23)18(16)24)11-1-3-12(4-2-11)19(21(30)27-31)26-20(29)13-5-7-15(8-6-13)28-34(25,32)33/h1-10,19,28,31H,(H,26,29)(H,27,30)(H2,25,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497552 (CHEMBL3359698) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497557 (CHEMBL3359692) Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497547 (CHEMBL3359694) Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50077537 ((+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)me...) Show SMILES OCC1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of wild type human PNMT				J Med Chem 50: 4845-53 (2007) Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aminopeptidase N (Homo sapiens (Human))	BDBM50528345 (CHEMBL4445188) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]ncc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H15F3N4O3/c23-16-8-14(9-17(24)19(16)25)11-1-3-12(4-2-11)20(22(31)29-32)27-21(30)13-5-6-18-15(7-13)10-26-28-18/h1-10,20,32H,(H,26,28)(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13027 (3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4...) Show SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F Show InChI InChI=1S/C12H15F3N2O3S/c13-12(14,15)7-17-21(19,20)11-2-1-8-3-10(6-18)16-5-9(8)4-11/h1-2,4,10,16-18H,3,5-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	-45.4	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Kansas					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528319 (CHEMBL4566015) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]nnc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H14F3N5O3/c22-14-7-13(8-15(23)18(14)24)10-1-3-11(4-2-10)19(21(31)28-32)25-20(30)12-5-6-16-17(9-12)27-29-26-16/h1-9,19,32H,(H,25,30)(H,28,31)(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497546 (CHEMBL3359695) Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528321 (CHEMBL4522953) Show SMILES ONC(=O)C(NC(=O)c1ccc(O)c(F)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H14F4N2O4/c22-14-7-12(5-6-17(14)28)20(29)26-19(21(30)27-31)11-3-1-10(2-4-11)13-8-15(23)18(25)16(24)9-13/h1-9,19,28,31H,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13028 (3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F Show InChI InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of wild type human PNMT				J Med Chem 50: 4845-53 (2007) Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aminopeptidase N (Homo sapiens (Human))	BDBM50528338 (CHEMBL4590563) Show SMILES N\C(=N/O)c1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H17F3N4O4/c23-16-9-15(10-17(24)18(16)25)11-4-6-12(7-5-11)19(22(31)29-33)27-21(30)14-3-1-2-13(8-14)20(26)28-32/h1-10,19,32-33H,(H2,26,28)(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13025 (7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...) Show SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of wild type human PNMT				J Med Chem 50: 4845-53 (2007) Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aminopeptidase N (Homo sapiens (Human))	BDBM50528320 (CHEMBL4578880) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)c(O)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H14F4N2O4/c22-14-6-5-12(9-17(14)28)20(29)26-19(21(30)27-31)11-3-1-10(2-4-11)13-7-15(23)18(25)16(24)8-13/h1-9,19,28,31H,(H,26,29)(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497548 (CHEMBL3359691) Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528313 (CHEMBL4544937) Show SMILES ONC(=O)C(NC(=O)Cc1ccc(O)c(F)c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F4N2O4/c23-15-7-11(1-6-18(15)29)8-19(30)27-21(22(31)28-32)13-4-2-12(3-5-13)14-9-16(24)20(26)17(25)10-14/h1-7,9-10,21,29,32H,8H2,(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13024 (7-sulfonamide-THIQ 14 | CHEMBL290890 | N-(4-chloro...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H16ClFN2O2S/c17-13-2-4-14(5-3-13)20-23(21,22)16-6-1-11-7-15(9-18)19-10-12(11)8-16/h1-6,8,15,19-20H,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of wild type human PNMT				J Med Chem 50: 4845-53 (2007) Article DOI: 10.1021/jm0703385 BindingDB Entry DOI: 10.7270/Q2ZC82KK
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528328 (CHEMBL4589359) Show SMILES N\C(=N/O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H17F3N4O4/c23-16-9-15(10-17(24)18(16)25)11-1-3-12(4-2-11)19(22(31)29-33)27-21(30)14-7-5-13(6-8-14)20(26)28-32/h1-10,19,32-33H,(H2,26,28)(H,27,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13023 (3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7...) Show SMILES NS(=O)(=O)c1ccc2CC(CO)NCc2c1 Show InChI InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	-43.2	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Kansas					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q
					More data for this Ligand-Target Pair				3D Structure (docked)
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13025 (7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...) Show SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	63	-42.8	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Kansas					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aminopeptidase N (Homo sapiens (Human))	BDBM50528310 (CHEMBL4455419) Show SMILES NC(=O)c1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F3N3O4/c23-16-9-15(10-17(24)18(16)25)11-4-6-12(7-5-11)19(22(31)28-32)27-21(30)14-3-1-2-13(8-14)20(26)29/h1-10,19,32H,(H2,26,29)(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497554 (CHEMBL3359689) Show SMILES Cl.NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C11H12N4O2.ClH/c12-10(11(16)14-17)8-2-4-9(5-3-8)15-7-1-6-13-15;/h1-7,10,17H,12H2,(H,14,16);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528327 (CHEMBL4586845) Show SMILES NC(=O)c1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C22H16F3N3O4/c23-16-9-15(10-17(24)18(16)25)11-1-3-12(4-2-11)19(22(31)28-32)27-21(30)14-7-5-13(6-8-14)20(26)29/h1-10,19,32H,(H2,26,29)(H,27,30)(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497554 (CHEMBL3359689) Show SMILES Cl.NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C11H12N4O2.ClH/c12-10(11(16)14-17)8-2-4-9(5-3-8)15-7-1-6-13-15;/h1-7,10,17H,12H2,(H,14,16);1H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528349 (CHEMBL4441367) Show SMILES ONC(=O)C(NC(=O)c1ccc(O)cc1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C21H15F3N2O4/c22-16-9-14(10-17(23)18(16)24)11-1-3-12(4-2-11)19(21(29)26-30)25-20(28)13-5-7-15(27)8-6-13/h1-10,19,27,30H,(H,25,28)(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528337 (CHEMBL4446709) Show SMILES ONC(=O)C(NC(=O)c1ccc2[nH]ccc2c1)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C23H16F3N3O3/c24-17-10-16(11-18(25)20(17)26)12-1-3-13(4-2-12)21(23(31)29-32)28-22(30)15-5-6-19-14(9-15)7-8-27-19/h1-11,21,27,32H,(H,28,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497549 (CHEMBL3359690) Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528335 (CHEMBL3765455) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50528314 (CHEMBL4572202) Show SMILES COc1ccc(CC(=O)NC(C(=O)NO)c2ccc(cc2)-c2cc(F)c(F)c(F)c2)cc1OC Show InChI InChI=1S/C24H21F3N2O5/c1-33-19-8-3-13(9-20(19)34-2)10-21(30)28-23(24(31)29-32)15-6-4-14(5-7-15)16-11-17(25)22(27)18(26)12-16/h3-9,11-12,23,32H,10H2,1-2H3,(H,28,30)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed ...				J Med Chem 62: 7185-7209 (2019) Article DOI: 10.1021/acs.jmedchem.9b00757 BindingDB Entry DOI: 10.7270/Q2KK9G8J
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13026 (3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F Show InChI InChI=1S/C12H14F4N2O2S/c13-5-10-3-8-1-2-11(4-9(8)6-17-10)21(19,20)18-7-12(14,15)16/h1-2,4,10,17-18H,3,5-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	-40.9	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Kansas					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q
					More data for this Ligand-Target Pair

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