Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase' and Ligand = 'BDBM50502707'   

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
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Salmonella typhimurium (strain LT2 / SGSC1412 / AT...)	BDBM50502707 (CHEMBL4458954) Show SMILES OC(=O)c1cnc(Nc2ccc(cc2)-c2ccncc2)nc1O Show InChI InChI=1S/C16H12N4O3/c21-14-13(15(22)23)9-18-16(20-14)19-12-3-1-10(2-4-12)11-5-7-17-8-6-11/h1-9H,(H,22,23)(H2,18,19,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northern Illinois University Curated by ChEMBL					Assay Description Inhibition of Salmonella typhimurium IspF by malachite green dye based assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126660 BindingDB Entry DOI: 10.7270/Q20C501R
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