Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hypoxanthine-guanine phosphoribosyltransferase' and Ligand = 'BDBM50268153'   

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))	BDBM50268153 (CHEMBL4068620) Show SMILES [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)CCOCC(COCCP([O-])([O-])=O)n1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H20N4O9P2/c17-12-10-11(13-7-14-12)16(8-15-10)9(5-24-1-3-26(18,19)20)6-25-2-4-27(21,22)23/h7-9H,1-6H2,(H,13,14,17)(H2,18,19,20)(H2,21,22,23)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic. Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis				Bioorg Med Chem 25: 4008-4030 (2017) Article DOI: 10.1016/j.bmc.2017.05.048 BindingDB Entry DOI: 10.7270/Q2NS0XCJ
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