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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Pyruvate kinase PKLR' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Pyruvate kinase PKLR


(Homo sapiens)
BDBM50029022
PNG
(CHEMBL3339205)
Show SMILES [O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C18H15N3O2/c22-21(23)14-7-8-16-13(11-20-18(16)9-14)6-5-12-10-19-17-4-2-1-3-15(12)17/h1-4,7-11,19-20H,5-6H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of purified human N-terminal His-tagged PK-R by LDH-coupled continuous assay


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase PKLR


(Homo sapiens)
BDBM50029022
PNG
(CHEMBL3339205)
Show SMILES [O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
Show InChI InChI=1S/C18H15N3O2/c22-21(23)14-7-8-16-13(11-20-18(16)9-14)6-5-12-10-19-17-4-2-1-3-15(12)17/h1-4,7-11,19-20H,5-6H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.15E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of purified human N-terminal His-tagged PK-L by LDH-coupled continuous assay


Citation and Details
More data for this
Ligand-Target Pair