Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with Target = 'Pteridine reductase 1'   

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 (Trypanosoma brucei brucei)	BDBM31801 (2-aminobenzimidazole deriv., 12) Show SMILES Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	7	-46.2	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50398391 (CHEMBL2178602) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C23H28N8O4/c1-35-22(34)15-6-8-30(9-7-15)21(33)14-2-4-17(5-3-14)31(10-11-32)13-16-12-26-20-18(27-16)19(24)28-23(25)29-20/h2-5,12,15,32H,6-11,13H2,1H3,(H4,24,25,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50398394 (CHEMBL1232702) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI InChI=1S/C22H26N8O3/c1-29(12-15-11-25-19-17(26-15)18(23)27-22(24)28-19)16-5-3-13(4-6-16)20(31)30-9-7-14(8-10-30)21(32)33-2/h3-6,11,14H,7-10,12H2,1-2H3,(H4,23,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31800 (2-aminobenzimidazole deriv., 11) Show SMILES CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12 Show InChI InChI=1S/C17H17Cl2N3O/c1-2-8-23-15-5-3-4-14-16(15)22(17(20)21-14)10-11-6-7-12(18)13(19)9-11/h3-7,9H,2,8,10H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	-41.5	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
Pteridine reductase 1 (Leishmania major)	BDBM50398392 (CHEMBL2178603) Show SMILES CCc1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1C(=O)N1CCC(CC1)C(=O)OC Show InChI InChI=1S/C23H28N8O3/c1-3-13-4-5-15(10-17(13)21(32)31-8-6-14(7-9-31)22(33)34-2)26-11-16-12-27-20-18(28-16)19(24)29-23(25)30-20/h4-5,10,12,14,26H,3,6-9,11H2,1-2H3,(H4,24,25,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50398390 (CHEMBL2177120) Show SMILES CCc1cc(ccc1NCc1cnc2nc(N)nc(N)c2n1)C(=O)N1CCC(CC1)C(=O)OC Show InChI InChI=1S/C23H28N8O3/c1-3-13-10-15(21(32)31-8-6-14(7-9-31)22(33)34-2)4-5-17(13)26-11-16-12-27-20-18(28-16)19(24)29-23(25)30-20/h4-5,10,12,14,26H,3,6-9,11H2,1-2H3,(H4,24,25,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50398395 (CHEMBL1232399) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 Show InChI InChI=1S/C21H24N8O3/c1-32-20(31)13-6-8-29(9-7-13)19(30)12-2-4-14(5-3-12)24-10-15-11-25-18-16(26-15)17(22)27-21(23)28-18/h2-5,11,13,24H,6-10H2,1H3,(H4,22,23,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50398389 (CHEMBL2178601) Show SMILES CCOC(=O)CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)OC Show InChI InChI=1S/C25H30N8O5/c1-3-38-19(34)14-33(13-17-12-28-22-20(29-17)21(26)30-25(27)31-22)18-6-4-15(5-7-18)23(35)32-10-8-16(9-11-32)24(36)37-2/h4-7,12,16H,3,8-11,13-14H2,1-2H3,(H4,26,27,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50398396 (CHEMBL2178600) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cn1 Show InChI InChI=1S/C20H23N9O3/c1-32-19(31)11-4-6-29(7-5-11)18(30)14-3-2-12(8-24-14)23-9-13-10-25-17-15(26-13)16(21)27-20(22)28-17/h2-3,8,10-11,23H,4-7,9H2,1H3,(H4,21,22,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303504 (2,4-diamino-6,7-diisopropylpteridin-1-ium | 6,7-bi...) Show SMILES CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C Show InChI InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50398393 (CHEMBL2178599) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 Show InChI InChI=1S/C20H23N9O2/c21-16-15-18(28-20(23)27-16)25-10-14(26-15)9-24-13-3-1-12(2-4-13)19(31)29-7-5-11(6-8-29)17(22)30/h1-4,10-11,24H,5-9H2,(H2,22,30)(H4,21,23,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31798 (2-aminobenzimidazole deriv., 9) Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	400	-36.3	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31799 (2-aminobenzimidazole deriv., 10) Show SMILES Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H10Cl3N3/c15-9-5-4-8(6-11(9)17)7-20-13-10(16)2-1-3-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	-35.7	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
Pteridine reductase 1 (Leishmania major)	BDBM50303518 (2,4-diamino-6-(benzylthio)pyrimidin-1-ium | 6-(ben...) Show SMILES Nc1cc(SCc2ccccc2)nc(N)n1 Show InChI InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					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)	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)	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)	BDBM50303514 (2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro...) Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303519 (6-[(4'-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediami...) Show SMILES COc1ccc(CSc2cc(N)nc(N)n2)cc1 Show InChI InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					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)	BDBM50303512 (2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-p...) Show SMILES COc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N Show InChI InChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					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)	BDBM50398388 (CHEMBL2178604) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N3CCC(CC3)C(O)=O)cnc2n1 Show InChI InChI=1S/C20H22N8O3/c21-16-15-17(27-20(22)26-16)24-10-14(25-15)9-23-13-3-1-11(2-4-13)18(29)28-7-5-12(6-8-28)19(30)31/h1-4,10,12,23H,5-9H2,(H,30,31)(H4,21,22,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303513 (2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-py...) Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1cccc(C=O)c1 Show InChI InChI=1S/C14H9N5O2/c15-5-9-10-12(18-14(16)19-13(10)21)17-11(9)8-3-1-2-7(4-8)6-20/h1-4,6H,(H4,16,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551183 (CHEMBL4747846) Show SMILES Oc1ccc(cc1)-c1ccc(-c2cc(O)cc(O)c2)c(c1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					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 (Trypanosoma brucei brucei)	BDBM31795 (2-aminobenzimidazole deriv., 6) Show SMILES Cc1cccc(c1)-c1ccc2nc(N)[nH]c2c1 Show InChI InChI=1S/C14H13N3/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H3,15,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	-28.4	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31794 (2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...) Show SMILES Nc1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.06E+4	-28.2	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50303505 (6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine |...) Show SMILES CC1=Nc2c(N)nc(N)nc2NC1(C)C |t:1| Show InChI InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551184 (CHEMBL4797185) Show SMILES Cn1cnc2c(N)nc(CCc3ccccc3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551180 (CHEMBL4760251) Show SMILES O=C1CCCCCNCc2ccc(Cc3ccc(CNCCCCCC(=O)N(Cc4ccccc4)CCCCCCCCN1Cc1ccccc1)cc3)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551177 (CHEMBL4762279) Show SMILES Nc1cc(NCc2ccc(cc2)-c2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					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)	BDBM50303511 (2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyr...) Show SMILES CCc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N Show InChI InChI=1S/C15H13N5O/c1-2-8-3-5-9(6-4-8)12-10(7-16)11-13(18-12)19-15(17)20-14(11)21/h3-6H,2H2,1H3,(H4,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551178 (CHEMBL4785591) Show SMILES O=C1CCCCCNCc2ccc(cc2)-c2ccc(CNCCCCCC(=O)N(Cc3ccccc3)CCCCCCCCN1Cc1ccccc1)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31791 (2-aminobenzothiazole deriv., 2) Show SMILES COC(=O)c1ccc2nc(N)sc2c1 Show InChI InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.11E+4	-26.5	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair
Pteridine reductase (Trypanosoma brucei brucei)	BDBM31797 (2-aminobenzimidazole deriv., 8) Show SMILES Nc1nc2ccccc2n1CCc1ccccc1 Show InChI InChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.39E+4	-26.2	n/a	n/a	n/a	n/a	n/a	6.0	23
University of Dundee					Assay Description TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...				J Med Chem 52: 4454-65 (2009) Article DOI: 10.1021/jm900414x BindingDB Entry DOI: 10.7270/Q28050X3
					More data for this Ligand-Target Pair				3D Structure (docked)
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)	BDBM50303516 (2,4-diamino-6-(cyclopropylamino)pyrimidin-1-ium | ...) Show SMILES Nc1cc(NC2CC2)nc(N)n1 Show InChI InChI=1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303517 (2,4-diamino-6-(p-tolylthio)pyrimidin-1-ium | 6-[(4...) Show SMILES Cc1ccc(Sc2cc(N)nc(N)n2)cc1 Show InChI InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303515 (2,4,6-triaminopyrimidin-1-ium | CHEMBL571518 | PYR...) Show SMILES Nc1cc(N)nc(N)n1 Show InChI InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303510 (2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1ccccc1 Show InChI InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303509 (2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d...) Show SMILES Nc1nc2[nH]c(Br)c(C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C7H4BrN5O/c8-4-2(1-9)3-5(11-4)12-7(10)13-6(3)14/h(H4,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303508 (2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2...) Show SMILES Nc1nc2[nH]cc(CCc3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303507 (2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1nc2[nH]cc(C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair

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