Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D-3-phosphoglycerate dehydrogenase' and Ligand = 'BDBM50519096'   

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))	BDBM50519096 (CHEMBL4561620) Show SMILES CC(NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C21H21N3O3/c1-14(16-10-8-15(9-11-16)12-20(25)26)22-21(27)19-13-18(23-24(19)2)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,22,27)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair