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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 = 'BDBM50519143'   
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))		BDBM50519143
PNG
(CHEMBL4524921)
Show SMILES Cn1nc(cc1C(=O)NC(C)(C)c1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3/c1-21(2,16-11-9-15(10-12-16)20(26)27)22-19(25)18-13-17(23-24(18)3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+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