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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D-3-phosphoglycerate dehydrogenase' and Ligand = 'BDBM50519107'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))		BDBM50519107
PNG
(CHEMBL4460438)
Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)N1C(=O)CNC1=O |r|
Show InChI InChI=1S/C22H21N5O3/c1-14(15-8-10-17(11-9-15)27-20(28)13-23-22(27)30)24-21(29)19-12-18(25-26(19)2)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,30)(H,24,29)/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/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