Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pyruvate kinase PKLR' and Ligand = 'BDBM50143419'   

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
Pyruvate kinase PKLR (Homo sapiens (Human))	BDBM50143419 (CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...) Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O Show InChI InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114270 BindingDB Entry DOI: 10.7270/Q2VX0MJ9
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