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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50519149   
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))
BDBM50519149
PNG
(CHEMBL4446511)
Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-11(12-3-5-13(6-4-12)19(24)25)21-18(23)17-10-14-9-15(20)7-8-16(14)22(17)2/h3-11H,1-2H3,(H,21,23)(H,24,25)/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 254n/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
D-3-phosphoglycerate dehydrogenase


(Homo sapiens (Human))
BDBM50519149
PNG
(CHEMBL4446511)
Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C19H17ClN2O3/c1-11(12-3-5-13(6-4-12)19(24)25)21-18(23)17-10-14-9-15(20)7-8-16(14)22(17)2/h3-11H,1-2H3,(H,21,23)(H,24,25)/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.37E+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