Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50039341   

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
Pteridine reductase 1 (Leishmania major)	BDBM50335107 (5-(4-aminopyridin-3-yl)-1,3,4-thiadiazol-2-amine |...) Show SMILES Nc1nnc(s1)-c1cnccc1N Show InChI InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335105 (2-(5-Amino-[1,3,4]thiadiazol-2-yl)-4H-chromen-4-on...) Show SMILES Nc1nnc(s1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C11H7N3O2S/c12-11-14-13-10(17-11)9-5-7(15)6-3-1-2-4-8(6)16-9/h1-5H,(H2,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335104 (3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(thiophen-2-y...) Show SMILES Nc1nnc(CCC(=O)c2cccs2)s1 Show InChI InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335098 (6-Nitro-benzothiazol-2-ylamine | 6-nitrobenzo[d]th...) Show SMILES Nc1nc2ccc(cc2s1)[N+]([O-])=O Show InChI InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM30705 (CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...) Show SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335102 (3-Chloro-N-[5-(2-chloroethyl)-[1,3,4]thiadiazol-2-...) Show SMILES ClCCC(=O)Nc1nnc(CCCl)s1 Show InChI InChI=1S/C7H9Cl2N3OS/c8-3-1-5(13)10-7-12-11-6(14-7)2-4-9/h1-4H2,(H,10,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335103 (3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(4-chlorophen...) Show SMILES Nc1nnc(CCC(=O)c2ccc(Cl)cc2)s1 Show InChI InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9(16)5-6-10-14-15-11(13)17-10/h1-4H,5-6H2,(H2,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335101 (2-(1,3-Dioxoisoindolin-2-yl)-N-5-(1,3-dioxoisoindo...) Show SMILES O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1 Show InChI InChI=1S/C21H13N5O5S/c27-15(9-25-17(28)11-5-1-2-6-12(11)18(25)29)22-21-24-23-16(32-21)10-26-19(30)13-7-3-4-8-14(13)20(26)31/h1-8H,9-10H2,(H,22,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335097 (6-(methylsulfonyl)benzo[d]thiazol-2-amine | 6-Meth...) Show SMILES CS(=O)(=O)c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335106 (5-(1H-benzo[d][1,2,3]triazol-5-yl)-[1,3,4]thiadiaz...) Show SMILES Nc1nnc(s1)-c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C8H6N6S/c9-8-13-12-7(15-8)4-1-2-5-6(3-4)11-14-10-5/h1-3H,(H2,9,13)(H,10,11,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383 | ...) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) Show SMILES Nc1nc2ccccc2s1 Show InChI InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335110 (CHEMBL1650237 | [1,3,4]Thiadiazol-2-ylamine) Show SMILES Nc1nncs1 Show InChI InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	4.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335105 (2-(5-Amino-[1,3,4]thiadiazol-2-yl)-4H-chromen-4-on...) Show SMILES Nc1nnc(s1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C11H7N3O2S/c12-11-14-13-10(17-11)9-5-7(15)6-3-1-2-4-8(6)16-9/h1-5H,(H2,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335104 (3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(thiophen-2-y...) Show SMILES Nc1nnc(CCC(=O)c2cccs2)s1 Show InChI InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335107 (5-(4-aminopyridin-3-yl)-1,3,4-thiadiazol-2-amine |...) Show SMILES Nc1nnc(s1)-c1cnccc1N Show InChI InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335098 (6-Nitro-benzothiazol-2-ylamine | 6-nitrobenzo[d]th...) Show SMILES Nc1nc2ccc(cc2s1)[N+]([O-])=O Show InChI InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM30705 (CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...) Show SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335103 (3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(4-chlorophen...) Show SMILES Nc1nnc(CCC(=O)c2ccc(Cl)cc2)s1 Show InChI InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9(16)5-6-10-14-15-11(13)17-10/h1-4H,5-6H2,(H2,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335102 (3-Chloro-N-[5-(2-chloroethyl)-[1,3,4]thiadiazol-2-...) Show SMILES ClCCC(=O)Nc1nnc(CCCl)s1 Show InChI InChI=1S/C7H9Cl2N3OS/c8-3-1-5(13)10-7-12-11-6(14-7)2-4-9/h1-4H2,(H,10,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335101 (2-(1,3-Dioxoisoindolin-2-yl)-N-5-(1,3-dioxoisoindo...) Show SMILES O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(CN2C(=O)c3ccccc3C2=O)s1 Show InChI InChI=1S/C21H13N5O5S/c27-15(9-25-17(28)11-5-1-2-6-12(11)18(25)29)22-21-24-23-16(32-21)10-26-19(30)13-7-3-4-8-14(13)20(26)31/h1-8H,9-10H2,(H,22,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50335104 (3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(thiophen-2-y...) Show SMILES Nc1nnc(CCC(=O)c2cccs2)s1 Show InChI InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335097 (6-(methylsulfonyl)benzo[d]thiazol-2-amine | 6-Meth...) Show SMILES CS(=O)(=O)c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50335104 (3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(thiophen-2-y...) Show SMILES Nc1nnc(CCC(=O)c2cccs2)s1 Show InChI InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335106 (5-(1H-benzo[d][1,2,3]triazol-5-yl)-[1,3,4]thiadiaz...) Show SMILES Nc1nnc(s1)-c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C8H6N6S/c9-8-13-12-7(15-8)4-1-2-5-6(3-4)11-14-10-5/h1-3H,(H2,9,13)(H,10,11,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM30705 (CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...) Show SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM10443 (2-methylquinolin-4-amine | 4-Aminoquinaldine 4) Show SMILES Cc1cc(N)c2ccccc2n1 Show InChI InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383 | ...) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335109 (1-methyl-1H-indazol-5-amine | CHEMBL1650263) Show SMILES Cn1ncc2cc(N)ccc12 Show InChI InChI=1S/C8H9N3/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50335097 (6-(methylsulfonyl)benzo[d]thiazol-2-amine | 6-Meth...) Show SMILES CS(=O)(=O)c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.04E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of human DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50335105 (2-(5-Amino-[1,3,4]thiadiazol-2-yl)-4H-chromen-4-on...) Show SMILES Nc1nnc(s1)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C11H7N3O2S/c12-11-14-13-10(17-11)9-5-7(15)6-3-1-2-4-8(6)16-9/h1-5H,(H2,12,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50335099 (4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383 | ...) Show SMILES Nc1nc2c(Cl)cccc2s1 Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.39E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50335097 (6-(methylsulfonyl)benzo[d]thiazol-2-amine | 6-Meth...) Show SMILES CS(=O)(=O)c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.79E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) Show SMILES Nc1nc2ccccc2s1 Show InChI InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM10458 (4-AP | 4-Aminopyridine 10 | CHEMBL284348 | DALFAMP...) Show SMILES Nc1ccncc1 Show InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50182880 (CHEMBL147741 | indole-3-carboxaldehyde) Show SMILES O=Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major DHFR				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335108 ((4-Fluorophenyl)-(4-hydroxy-phenyl)-methanone | CH...) Show SMILES Oc1ccc(cc1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C13H9FO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50335110 (CHEMBL1650237 | [1,3,4]Thiadiazol-2-ylamine) Show SMILES Nc1nncs1 Show InChI InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Rutgers University Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1				J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jf103164r BindingDB Entry DOI: 10.7270/Q27W6D6P
					More data for this Ligand-Target Pair