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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 = 'BDBM50519108'   
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))		BDBM50519108
PNG
(CHEMBL4446190)
Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)N1[C@@H](CCC1=O)C(O)=O |r|
Show InChI InChI=1S/C24H24N4O4/c1-15(16-8-10-18(11-9-16)28-20(24(31)32)12-13-22(28)29)25-23(30)21-14-19(26-27(21)2)17-6-4-3-5-7-17/h3-11,14-15,20H,12-13H2,1-2H3,(H,25,30)(H,31,32)/t15-,20+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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