BDBM82190 Salicylic acid derivative, compound 2

SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O

InChI Key InChIKey=LBDOGIZEEBHJSE-UHFFFAOYSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 82190   

TargetEphrin type-A receptor 4 [1-949,A922V](Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  1.00E+4nMpH: 7.5Assay Description:Protein A-coasted wells (from Pierce Biotechnology) were used to immobilize Eph receptor Fc fusion proteins (from R&D systems)incubated at 1 ug/ml in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  7.00E+3nMAssay Description:Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPyruvate kinase PKM(Homo sapiens (Human))
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  1.00E+5nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufuMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  620nMAssay Description:Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPyruvate kinase PKM(Homo sapiens (Human))
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM82190(Salicylic acid derivative, compound 2)
Affinity DataIC50:  1.25E+4nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed