Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '4-hydroxy-3-methylbut-2-enyl diphosphate reductase' and Ligand = 'BDBM50487152'   

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
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus)	BDBM50487152 (CHEMBL2251820) Show SMILES OP(O)(=O)OP(O)(=O)OCc1ccc(Cl)nc1 Show InChI InChI=1S/C6H8ClNO7P2/c7-6-2-1-5(3-8-6)4-14-17(12,13)15-16(9,10)11/h1-3H,4H2,(H,12,13)(H2,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair