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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Pyruvate kinase PKM' and Ligand = 'BDBM82190'   
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
Pyruvate kinase PKM


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
PDB

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MCE
PC cid
PC sid
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Patents


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US Patent
n/an/a 7.00E+3n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center, Inc.

US Patent


Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...


US Patent US8877791 (2014)


BindingDB Entry DOI: 10.7270/Q2D21WBN
More data for this
Ligand-Target Pair
Pyruvate kinase PKM


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP
More data for this
Ligand-Target Pair
Pyruvate kinase PKM


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu


J Med Chem 44: 4288-91 (2001)


Article DOI: 10.1021/jm010948j
More data for this
Ligand-Target Pair
Pyruvate kinase PKM


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Guizhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p...


Bioorg Med Chem Lett 27: 5404-5408 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.011
BindingDB Entry DOI: 10.7270/Q2V40XS7
More data for this
Ligand-Target Pair
Pyruvate kinase PKM


(Homo sapiens (Human))
BDBM82190
PNG
(Salicylic acid derivative, compound 2)
Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Guizhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM1 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p...


Bioorg Med Chem Lett 27: 5404-5408 (2017)


Article DOI: 10.1016/j.bmcl.2017.11.011
BindingDB Entry DOI: 10.7270/Q2V40XS7
More data for this
Ligand-Target Pair