Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'charman' and Initial = 'wn'   

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
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331048 (CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...) Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1 |c:5| Show InChI InChI=1S/C23H20N2O5/c1-3-29-23(28)21-20(15-10-14-6-4-5-7-18(14)24-12-15)17-9-8-16(27)11-19(17)30-22(21)25-13(2)26/h4-12,20,27H,3H2,1-2H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449010 (CHEMBL3125960) Show SMILES CCOC(=O)C1C(c2cnc3ccccc3c2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(13-9-12-5-3-4-6-16(12)23-11-13)15-8-7-14(24)10-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449026 (CHEMBL3125936) Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cccnc1 |c:5| Show InChI InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449000 (CHEMBL3125942) Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccnc2ccccc12 Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(14-9-10-23-16-6-4-3-5-13(14)16)15-8-7-12(24)11-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449033 (CHEMBL3125949) Show SMILES CCCOC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H18N2O4/c1-2-8-23-18(22)16-15(11-4-3-7-20-10-11)13-6-5-12(21)9-14(13)24-17(16)19/h3-7,9-10,15-16,19,21H,2,8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449029 (CHEMBL3125954) Show SMILES Oc1ccc2C(C(C(=O)OCc3ccccc3)C(=N)Oc2c1)c1cccnc1 Show InChI InChI=1S/C22H18N2O4/c23-21-20(22(26)27-13-14-5-2-1-3-6-14)19(15-7-4-10-24-12-15)17-9-8-16(25)11-18(17)28-21/h1-12,19-20,23,25H,13H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449011 (CHEMBL1604159) Show SMILES CCOC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(10-4-3-7-19-9-10)12-6-5-11(20)8-13(12)23-16(15)18/h3-9,14-15,18,20H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449032 (CHEMBL3125950) Show SMILES CCCCOC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C19H20N2O4/c1-2-3-9-24-19(23)17-16(12-5-4-8-21-11-12)14-7-6-13(22)10-15(14)25-18(17)20/h4-8,10-11,16-17,20,22H,2-3,9H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449008 (CHEMBL3125965) Show SMILES CCOC(=O)C1C(c2ccccn2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(12-5-3-4-8-19-12)11-7-6-10(20)9-13(11)23-16(15)18/h3-9,14-15,18,20H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449007 (CHEMBL3125966) Show SMILES CCOC(=O)C1C(c2cc3ccccc3cn2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(15-8-7-14(24)10-17(15)27-20(19)22)16-9-12-5-3-4-6-13(12)11-23-16/h3-11,18-19,22,24H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449004 (CHEMBL3125937) Show SMILES CCOC(=O)C1C(c2cccc(c2)C#N)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)17-16(12-5-3-4-11(8-12)10-20)14-7-6-13(22)9-15(14)25-18(17)21/h3-9,16-17,21-22H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449001 (CHEMBL3125941) Show SMILES CCOC(=O)C1C(c2ccncc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)15-14(10-5-7-19-8-6-10)12-4-3-11(20)9-13(12)23-16(15)18/h3-9,14-15,18,20H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449030 (CHEMBL3125952) Show SMILES COCCOC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H18N2O5/c1-23-7-8-24-18(22)16-15(11-3-2-6-20-10-11)13-5-4-12(21)9-14(13)25-17(16)19/h2-6,9-10,15-16,19,21H,7-8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449034 (CHEMBL3125948) Show SMILES COC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C16H14N2O4/c1-21-16(20)14-13(9-3-2-6-18-8-9)11-5-4-10(19)7-12(11)22-15(14)17/h2-8,13-14,17,19H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50448996 (CHEMBL3125931) Show SMILES Oc1cccc(c1)C1[C-](C#N)C(=[NH2+])Oc2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C16H10N3O4/c17-8-13-15(9-2-1-3-11(20)6-9)12-5-4-10(19(21)22)7-14(12)23-16(13)18/h1-7,15,18,20H/q-1/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50448998 (CHEMBL3125944) Show SMILES CCOC(=O)C1C(c2ccc(cc2)N(C)C)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C20H22N2O4/c1-4-25-20(24)18-17(12-5-7-13(8-6-12)22(2)3)15-10-9-14(23)11-16(15)26-19(18)21/h5-11,17-18,21,23H,4H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449028 (CHEMBL3125932) Show SMILES CCOC(=O)C1C(c2cccnc2)c2cc(Cl)c(O)cc2OC1=N Show InChI InChI=1S/C17H15ClN2O4/c1-2-23-17(22)15-14(9-4-3-5-20-8-9)10-6-11(18)12(21)7-13(10)24-16(15)19/h3-8,14-15,19,21H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50448997 (CHEMBL3125945) Show SMILES CCOC(=O)C1C(c2ccc(OC)c(OC)c2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C20H21NO6/c1-4-26-20(23)18-17(11-5-8-14(24-2)16(9-11)25-3)13-7-6-12(22)10-15(13)27-19(18)21/h5-10,17-18,21-22H,4H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50448999 (CHEMBL1338272) Show SMILES CCOC(=O)[C-]1C(c2ccc(cc2)[N+]([O-])=O)c2ccc(O)cc2OC1=[NH2+] Show InChI InChI=1S/C18H15N2O6/c1-2-25-18(22)16-15(10-3-5-11(6-4-10)20(23)24)13-8-7-12(21)9-14(13)26-17(16)19/h3-9,15,19,21H,2H2,1H3/q-1/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449027 (CHEMBL3125934) Show SMILES CCOC(=O)C1C(c2cccnc2)c2cccc(O)c2OC1=N Show InChI InChI=1S/C17H16N2O4/c1-2-22-17(21)14-13(10-5-4-8-19-9-10)11-6-3-7-12(20)15(11)23-16(14)18/h3-9,13-14,18,20H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449002 (CHEMBL3125940) Show SMILES CCOC(=O)C1C(c2ccc(cc2)C#N)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)17-16(12-5-3-11(10-20)4-6-12)14-8-7-13(22)9-15(14)25-18(17)21/h3-9,16-17,21-22H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449031 (CHEMBL3125951) Show SMILES CC(C)(C)OC(=O)C1C(c2cccnc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C19H20N2O4/c1-19(2,3)25-18(23)16-15(11-5-4-8-21-10-11)13-7-6-12(22)9-14(13)24-17(16)20/h4-10,15-16,20,22H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449003 (CHEMBL3125938) Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1c(Cl)ccnc1Cl Show InChI InChI=1S/C17H14Cl2N2O4/c1-2-24-17(23)14-12(13-10(18)5-6-21-15(13)19)9-4-3-8(22)7-11(9)25-16(14)20/h3-7,12,14,20,22H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449005 (CHEMBL1511289) Show SMILES CCOC(=O)C1C(c2cccc(Cl)c2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H16ClNO4/c1-2-23-18(22)16-15(10-4-3-5-11(19)8-10)13-7-6-12(21)9-14(13)24-17(16)20/h3-9,15-16,20-21H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449006 (CHEMBL3125967) Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C18H16N2O6/c1-2-25-18(22)16-15(11-5-3-4-6-13(11)20(23)24)12-8-7-10(21)9-14(12)26-17(16)19/h3-9,15-16,19,21H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449009 (CHEMBL1303063) Show SMILES COc1ccc(cc1OC)C1C(C#N)C(=N)Oc2cc(O)ccc12 Show InChI InChI=1S/C18H16N2O4/c1-22-14-6-3-10(7-16(14)23-2)17-12-5-4-11(21)8-15(12)24-18(20)13(17)9-19/h3-8,13,17,20-21H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449024 (CHEMBL3125961) Show SMILES COc1cccc(c1)C1C(C#N)C(=N)Oc2cc(O)ccc12 Show InChI InChI=1S/C17H14N2O3/c1-21-12-4-2-3-10(7-12)16-13-6-5-11(20)8-15(13)22-17(19)14(16)9-18/h2-8,14,16,19-20H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449025 (CHEMBL1276538) Show SMILES COc1ccc(cc1)C1C(C#N)C(=N)Oc2cc(O)ccc12 Show InChI InChI=1S/C17H14N2O3/c1-21-12-5-2-10(3-6-12)16-13-7-4-11(20)8-15(13)22-17(19)14(16)9-18/h2-8,14,16,19-20H,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449014 (CHEMBL3125943) Show SMILES CCOC(=O)C1C(c2ccc(cc2)-c2ccccn2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C23H20N2O4/c1-2-28-23(27)21-20(17-11-10-16(26)13-19(17)29-22(21)24)15-8-6-14(7-9-15)18-5-3-4-12-25-18/h3-13,20-21,24,26H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449013 (CHEMBL3125935) Show SMILES CCOC(=O)C1C(c2cccnc2)c2ccc3ccccc3c2OC1=N Show InChI InChI=1S/C21H18N2O3/c1-2-25-21(24)18-17(14-7-5-11-23-12-14)16-10-9-13-6-3-4-8-15(13)19(16)26-20(18)22/h3-12,17-18,22H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449012 (CHEMBL1406709) Show SMILES CCOC(=O)C1C(c2cccnc2)c2c(OC1=N)ccc1ccccc21 Show InChI InChI=1S/C21H18N2O3/c1-2-25-21(24)19-17(14-7-5-11-23-12-14)18-15-8-4-3-6-13(15)9-10-16(18)26-20(19)22/h3-12,17,19,22H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449023 (CHEMBL3125962) Show SMILES COc1cc(OC)cc(c1)C1C(C#N)C(=N)Oc2cc(O)ccc12 Show InChI InChI=1S/C18H16N2O4/c1-22-12-5-10(6-13(8-12)23-2)17-14-4-3-11(21)7-16(14)24-18(20)15(17)9-19/h3-8,15,17,20-21H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449022 (CHEMBL1403937) Show SMILES COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(O)ccc12 Show InChI InChI=1S/C19H18N2O5/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(22)8-14(12)26-19(21)13(17)9-20/h4-8,13,17,21-22H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449021 (CHEMBL1556216) Show SMILES Oc1ccc2C(C(C#N)C(=N)Oc2c1)c1cccnc1 Show InChI InChI=1S/C15H11N3O2/c16-7-12-14(9-2-1-5-18-8-9)11-4-3-10(19)6-13(11)20-15(12)17/h1-6,8,12,14,17,19H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449020 (CHEMBL3125963) Show SMILES CN(C)c1ccc(cc1)C1C(C#N)C(=N)Oc2cc(O)ccc12 Show InChI InChI=1S/C18H17N3O2/c1-21(2)12-5-3-11(4-6-12)17-14-8-7-13(22)9-16(14)23-18(20)15(17)10-19/h3-9,15,17,20,22H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449019 (CHEMBL1603587) Show SMILES CCOC(=O)C1C(c2ccccc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15-16,19-20H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449018 (CHEMBL3125964) Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccccc1C#N Show InChI InChI=1S/C19H16N2O4/c1-2-24-19(23)17-16(13-6-4-3-5-11(13)10-20)14-8-7-12(22)9-15(14)25-18(17)21/h3-9,16-17,21-22H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449015 (CHEMBL3125939) Show SMILES CCOC(=O)C1C(c2ccc(Cl)cc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H16ClNO4/c1-2-23-18(22)16-15(10-3-5-11(19)6-4-10)13-8-7-12(21)9-14(13)24-17(16)20/h3-9,15-16,20-21H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449016 (CHEMBL1435420) Show SMILES CCOC(=O)C1C(c2ccc(Br)cc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C18H16BrNO4/c1-2-23-18(22)16-15(10-3-5-11(19)6-4-10)13-8-7-12(21)9-14(13)24-17(16)20/h3-9,15-16,20-21H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449017 (CHEMBL1604644) Show SMILES CCOC(=O)C1C(c2ccc(C)cc2)c2ccc(O)cc2OC1=N Show InChI InChI=1S/C19H19NO4/c1-3-23-19(22)17-16(12-6-4-11(2)5-7-12)14-9-8-13(21)10-15(14)24-18(17)20/h4-10,16-17,20-21H,3H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Antimicrob Agents Chemother 53: 2824-33 (2009) Article DOI: 10.1128/AAC.01568-08 BindingDB Entry DOI: 10.7270/Q2QV3MSN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345406 (CHEMBL1784574 | N-(4-tert-Butyl-3-fluorophenyl)-5-...) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(C)(C)C)n2ncnc2n1 Show InChI InChI=1S/C16H18FN5/c1-10-7-14(22-15(20-10)18-9-19-22)21-11-5-6-12(13(17)8-11)16(2,3)4/h5-9,21H,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24400 (5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...) Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	20
University of Washington at Seattle					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				J Med Chem 52: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM24413 (JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...) Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1 Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	8.0	20
University of Washington at Seattle					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				J Med Chem 52: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345441 (5-Methyl-N-(5,6,7,8-tetrahydronaphthalen-2yl)-[1,2...) Show SMILES Cc1cc(Nc2ccc3CCCCc3c2)n2ncnc2n1 Show InChI InChI=1S/C16H17N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h6-10,20H,2-5H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7))	BDBM28843 (N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1...) Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C13H9F4N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17/h2-6,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				J Med Chem 52: 1864-72 (2009) Article DOI: 10.1021/jm801343r BindingDB Entry DOI: 10.7270/Q2QN653C
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345420 (CHEMBL1784561 | N-(4-tert-Butylphenyl)-5-methyl-[1...) Show SMILES Cc1cc(Nc2ccc(cc2)C(C)(C)C)n2ncnc2n1 Show InChI InChI=1S/C16H19N5/c1-11-9-14(21-15(19-11)17-10-18-21)20-13-7-5-12(6-8-13)16(2,3)4/h5-10,20H,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345385 (CHEMBL1784580 | N-(Benzo[b]thiophen-5-yl)-5-methyl...) Show SMILES Cc1cc(Nc2ccc3sccc3c2)n2ncnc2n1 Show InChI InChI=1S/C14H11N5S/c1-9-6-13(19-14(17-9)15-8-16-19)18-11-2-3-12-10(7-11)4-5-20-12/h2-8,18H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50305505 (CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...) Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 563-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.088 BindingDB Entry DOI: 10.7270/Q2RJ4JKQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum)	BDBM50345414 (CHEMBL1784567 | N-(4-Pentafluorosulfenylphenyl)-5-...) Show SMILES Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2ncnc2n1 Show InChI InChI=1S/C12H10F5N5S/c1-8-6-11(22-12(20-8)18-7-19-22)21-9-2-4-10(5-3-9)23(13,14,15,16)17/h2-7,21H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as subs...				J Med Chem 54: 3935-49 (2011) Article DOI: 10.1021/jm200265b BindingDB Entry DOI: 10.7270/Q2FN16HS
					More data for this Ligand-Target Pair

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