Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphoglycerate kinase 1' and Ligand = 'BDBM50216719'   

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
Phosphoglycerate kinase 1 (Homo sapiens (Human))	BDBM50216719 (CHEMBL348433) Show SMILES OP(O)(=O)C(Cl)c1cccc(n1)C(Cl)P(O)(O)=O Show InChI InChI=1S/C7H9Cl2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	7.1	n/a
Sheffield University Curated by ChEMBL					Assay Description Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1				Bioorg Med Chem Lett 8: 515-20 (1998) BindingDB Entry DOI: 10.7270/Q2SN0C53
					More data for this Ligand-Target Pair
Phosphoglycerate kinase 1 (Homo sapiens (Human))	BDBM50216719 (CHEMBL348433) Show SMILES OP(O)(=O)C(Cl)c1cccc(n1)C(Cl)P(O)(O)=O Show InChI InChI=1S/C7H9Cl2NO6P2/c8-6(17(11,12)13)4-2-1-3-5(10-4)7(9)18(14,15)16/h1-3,6-7H,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sheffield University Curated by ChEMBL					Assay Description Inhibitory activity against 3-phosphoglycerate kinase.				Bioorg Med Chem Lett 8: 515-20 (1998) BindingDB Entry DOI: 10.7270/Q2SN0C53
					More data for this Ligand-Target Pair