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BDBM50519103 CHEMBL4476414

SMILES: CC(NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=ONVWOXXFKHGWTI-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519103   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))
BDBM50519103
PNG
(CHEMBL4476414)
Show SMILES CC(NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H19N3O3/c1-13(14-8-10-16(11-9-14)20(25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 900n/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
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)