Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50013299   

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
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128869 (2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...) Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128871 (CHEMBL313154 | Chrysen-6-ylamine) Show SMILES Nc1cc2c3ccccc3ccc2c2ccccc12 Show InChI InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128867 (3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...) Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128866 (2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...) Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128872 (6-Fluoro-chrysene | CHEMBL83242) Show SMILES Fc1cc2c3ccccc3ccc2c2ccccc12 Show InChI InChI=1S/C18H11F/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128866 (2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...) Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128865 (6-Nitro-chrysene | CHEMBL82858) Show SMILES [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12 Show InChI InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128870 (CHEMBL85685 | chrysene) Show SMILES c1ccc2c(c1)ccc1c3ccccc3ccc21 Show InChI InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128867 (3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...) Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128868 (5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...) Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12 Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128867 (3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...) Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128869 (2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...) Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128869 (2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...) Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12 Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128868 (5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...) Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12 Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50128868 (5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...) Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12 Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.81E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)				J Med Chem 46: 2548-50 (2003) Article DOI: 10.1021/jm030061i BindingDB Entry DOI: 10.7270/Q2CF9PGG
					More data for this Ligand-Target Pair