Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 5636   

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-xanthine phosphoribosyltransferase (Plasmodium falciparum)	BDBM92358 (HGXPRT Inhibitor, 3) Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.650	-54.5	n/a	n/a	n/a	n/a	n/a	7.6	37
Albert Einstein College of Medicine					Assay Description PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...				Chem Biol 19: 721-30 (2012) Article DOI: 10.1016/j.chembiol.2012.04.012 BindingDB Entry DOI: 10.7270/Q2639NB8
					More data for this Ligand-Target Pair
Hypoxanthine-guanine-xanthine phosphoribosyltransferase (Plasmodium falciparum)	BDBM92357 (HGXPRT Inhibitor, 2) Show SMILES [O-]P([O-])(=O)CCC[NH2+]c1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C9H11N4O4P/c14-9-8-7(12-5-13-9)6(4-11-8)10-2-1-3-18(15,16)17/h4-5,10H,1-3H2,(H2,15,16,17)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10.6	-47.3	n/a	n/a	n/a	n/a	n/a	7.6	37
Albert Einstein College of Medicine					Assay Description PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...				Chem Biol 19: 721-30 (2012) Article DOI: 10.1016/j.chembiol.2012.04.012 BindingDB Entry DOI: 10.7270/Q2639NB8
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM92358 (HGXPRT Inhibitor, 3) Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	385	-38.1	n/a	n/a	n/a	n/a	n/a	7.6	37
Albert Einstein College of Medicine					Assay Description PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...				Chem Biol 19: 721-30 (2012) Article DOI: 10.1016/j.chembiol.2012.04.012 BindingDB Entry DOI: 10.7270/Q2639NB8
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM92357 (HGXPRT Inhibitor, 2) Show SMILES [O-]P([O-])(=O)CCC[NH2+]c1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C9H11N4O4P/c14-9-8-7(12-5-13-9)6(4-11-8)10-2-1-3-18(15,16)17/h4-5,10H,1-3H2,(H2,15,16,17)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.94E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.6	37
Albert Einstein College of Medicine					Assay Description PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...				Chem Biol 19: 721-30 (2012) Article DOI: 10.1016/j.chembiol.2012.04.012 BindingDB Entry DOI: 10.7270/Q2639NB8
					More data for this Ligand-Target Pair