Compile Data Set for Download or QSAR

Found 86 hits of ic50 for UniProtKB: Q01782   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pteridine reductase 1 (Leishmania major)	BDBM50050426 (6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...) Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600683 (CHEMBL5184936) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(Cc1ccccc1)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600693 (CHEMBL5175012) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)c3ccccc3)cnc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600694 (CHEMBL5204239) Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NCCc3ccccc3)cnc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600703 (CHEMBL5201183) Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600684 (CHEMBL5182125) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(SCc2cnc3nc(N)nc(N)c3n2)nc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600702 (CHEMBL5199171) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600692 (CHEMBL5197107) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600704 (CHEMBL5193762) Show SMILES COc1ccc(Oc2ccc(CN(Cc3ccccc3)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600699 (CHEMBL5180685) Show SMILES COc1cc(Oc2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc(OC)c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600700 (CHEMBL5188304) Show SMILES NC(=O)C1CCN(CC1)C(=O)Cc1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600701 (CHEMBL5200612) Show SMILES NC(=O)C1CCCN1C(=O)Cc1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600685 (CHEMBL5171609) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CCCO)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50600698 (CHEMBL5205037) Show SMILES COc1ccc(Oc2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600682 (CHEMBL5193564) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC#C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600689 (CHEMBL5175397) Show SMILES Nc1nc(N)c2nc(cnc2n1)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600691 (CHEMBL5205559) Show SMILES CCCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600690 (CHEMBL5206994) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600705 (CHEMBL5184646) Show SMILES COc1ccc(Oc2ccc(CN(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600697 (CHEMBL5201599) Show SMILES Nc1nc(N)c2nc(CNCc3ccc(Oc4ccccc4)cc3)cnc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					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	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50600686 (CHEMBL5183748) Show SMILES COC(=O)C1CCN(CC1)C(=O)Cc1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600695 (CHEMBL5208403) Show SMILES COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600696 (CHEMBL5173732) Show SMILES COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					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	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50600687 (CHEMBL5170968) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1cccc(NCc2cnc3nc(N)nc(N)c3n2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM168436 (US9675591, SKA-19) Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1 Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522419 (CHEMBL4552119) Show SMILES Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C15H13N3O2S/c16-15-18-13-11(19)6-10(7-12(13)21-15)14(20)17-8-9-4-2-1-3-5-9/h1-7,19H,8H2,(H2,16,18)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600679 (CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-12...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522430 (CHEMBL4582026) Show SMILES Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N4O3S/c16-15-18-11-6-5-9(7-13(11)23-15)14(20)17-8-10-3-1-2-4-12(10)19(21)22/h1-7H,8H2,(H2,16,18)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
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	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600688 (CHEMBL5198855) Show SMILES Nc1nc(N)c2nc(cnc2n1)C(=O)NCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
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	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					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	n/a	n/a	7.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522424 (CHEMBL4439011) Show SMILES Nc1nc2ccc(SCc3ccc(Cl)c(Cl)c3)cc2s1 Show InChI InChI=1S/C14H10Cl2N2S2/c15-10-3-1-8(5-11(10)16)7-19-9-2-4-12-13(6-9)20-14(17)18-12/h1-6H,7H2,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522411 (CHEMBL4564287) Show SMILES Nc1nc2ccc(SCc3ccc(cc3)C#N)cc2s1 Show InChI InChI=1S/C15H11N3S2/c16-8-10-1-3-11(4-2-10)9-19-12-5-6-13-14(7-12)20-15(17)18-13/h1-7H,9H2,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600681 (CHEMBL5180552) Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N1CCC(CC1)C(=O)OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM18512 (5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522421 (CHEMBL4441552) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(CSc2ccc3nc(N)sc3c2)cc1 Show InChI InChI=1S/C22H23N3O3S2/c1-28-21(27)16-8-10-25(11-9-16)20(26)15-4-2-14(3-5-15)13-29-17-6-7-18-19(12-17)30-22(23)24-18/h2-7,12,16H,8-11,13H2,1H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522435 (CHEMBL4583705) Show SMILES Nc1nc2c(cc(O)c(O)c2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H17Cl2N3O3S/c23-15-7-6-13(8-16(15)24)11-27(10-12-4-2-1-3-5-12)21(30)14-9-17(28)19(29)20-18(14)26-22(25)31-20/h1-9,28-29H,10-11H2,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522429 (CHEMBL4458858) Show SMILES Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522418 (CHEMBL4581650) Show SMILES Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H20N4O2S/c24-23-27-19-11-10-18(12-20(19)30-23)22(29)26-14-16-6-8-17(9-7-16)21(28)25-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,24,27)(H,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					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)	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	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
					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)	BDBM50522404 (CHEMBL4562350) Show SMILES Nc1nc2ccc(SCc3ccc(cc3)C(=O)NCc3ccccc3)cc2s1 Show InChI InChI=1S/C22H19N3OS2/c23-22-25-19-11-10-18(12-20(19)28-22)27-14-16-6-8-17(9-7-16)21(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50522436 (CHEMBL4456198) Show SMILES Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c16-15-18-11-9(6-10(19)12(20)13(11)22-15)14(21)17-7-8-4-2-1-3-5-8/h1-6,19-20H,7H2,(H2,16,18)(H,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					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)	BDBM50522407 (CHEMBL4566383) Show SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1 Show InChI InChI=1S/C22H23N3O4S/c1-28-21(27)16-8-10-25(11-9-16)20(26)15-4-2-14(3-5-15)13-29-17-6-7-18-19(12-17)30-22(23)24-18/h2-7,12,16H,8-11,13H2,1H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH				J Med Chem 62: 3989-4012 (2019) Article DOI: 10.1021/acs.jmedchem.8b02021 BindingDB Entry DOI: 10.7270/Q2HQ4399
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50245821 (CHEMBL4080301) Show SMILES Cc1sc2ncnc(N\N=C\c3ccccc3)c2c1C Show InChI InChI=1S/C15H14N4S/c1-10-11(2)20-15-13(10)14(16-9-17-15)19-18-8-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,19)/b18-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 using biopterin as substrate and NADPH as cofactor by spectrofluorimetric method				Eur J Med Chem 132: 322-332 (2017) Article DOI: 10.1016/j.ejmech.2017.03.043 BindingDB Entry DOI: 10.7270/Q20V8G6R
					More data for this Ligand-Target Pair

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