Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D-3-phosphoglycerate dehydrogenase' and Ligand = 'BDBM50271506'   

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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50271506 (CHEMBL2135778 | US11225469, Compound 116) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2cccc(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H20F3N5S/c1-12-10-13(2)22-15(11-12)24-17(27)26-8-6-25(7-9-26)16-5-3-4-14(23-16)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RWT
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50271506 (CHEMBL2135778 | US11225469, Compound 116) Show SMILES Cc1cc(C)nc(NC(=S)N2CCN(CC2)c2cccc(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H20F3N5S/c1-12-10-13(2)22-15(11-12)24-17(27)26-8-6-25(7-9-26)16-5-3-4-14(23-16)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 2...				Bioorg Med Chem 26: 1727-1739 (2018) Article DOI: 10.1016/j.bmc.2018.02.016 BindingDB Entry DOI: 10.7270/Q2542R3R
					More data for this Ligand-Target Pair