Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50035279   

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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112055 (1-Benzyl-1H-benzoimidazole-4,7-dione | CHEMBL36927...) Show SMILES O=C1C=CC(=O)c2c1ncn2Cc1ccccc1 |c:2| Show InChI InChI=1S/C14H10N2O2/c17-11-6-7-12(18)14-13(11)15-9-16(14)8-10-4-2-1-3-5-10/h1-7,9H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates N...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112059 (1-(4-Fluoro-benzyl)-1H-benzoimidazole-4,7-dione | ...) Show SMILES Fc1ccc(Cn2cnc3c2C(=O)C=CC3=O)cc1 |c:14| Show InChI InChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)7-17-8-16-13-11(18)5-6-12(19)14(13)17/h1-6,8H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112058 (1-(3-Fluoro-benzyl)-1H-benzoimidazole-4,7-dione | ...) Show SMILES Fc1cccc(Cn2cnc3c2C(=O)C=CC3=O)c1 |c:15| Show InChI InChI=1S/C14H9FN2O2/c15-10-3-1-2-9(6-10)7-17-8-16-13-11(18)4-5-12(19)14(13)17/h1-6,8H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112054 (1-(2-Fluoro-benzyl)-1H-benzoimidazole-4,7-dione | ...) Show SMILES Fc1ccccc1Cn1cnc2c1C(=O)C=CC2=O |c:17| Show InChI InChI=1S/C14H9FN2O2/c15-10-4-2-1-3-9(10)7-17-8-16-13-11(18)5-6-12(19)14(13)17/h1-6,8H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.48E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112056 (1H-Benzoimidazole-4,7-dione | CHEMBL314906) Show SMILES O=C1C=CC(=O)c2[nH]cnc12 |c:2| Show InChI InChI=1S/C7H4N2O2/c10-4-1-2-5(11)7-6(4)8-3-9-7/h1-3H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates N...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112057 (1-Methyl-1H-benzoimidazole-4,7-dione | CHEMBL42405...) Show SMILES Cn1cnc2c1C(=O)C=CC2=O |c:9| Show InChI InChI=1S/C8H6N2O2/c1-10-4-9-7-5(11)2-3-6(12)8(7)10/h2-4H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.21E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates c...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112057 (1-Methyl-1H-benzoimidazole-4,7-dione | CHEMBL42405...) Show SMILES Cn1cnc2c1C(=O)C=CC2=O |c:9| Show InChI InChI=1S/C8H6N2O2/c1-10-4-9-7-5(11)2-3-6(12)8(7)10/h2-4H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.21E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50112062 (1-Butyl-1H-benzoimidazole-4,7-dione | CHEMBL174383) Show SMILES CCCCn1cnc2c1C(=O)C=CC2=O |c:12| Show InChI InChI=1S/C11H12N2O2/c1-2-3-6-13-7-12-10-8(14)4-5-9(15)11(10)13/h4-5,7H,2-3,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.96E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lyon I Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...				Bioorg Med Chem Lett 12: 977-9 (2002) BindingDB Entry DOI: 10.7270/Q2HM591J
					More data for this Ligand-Target Pair