BDBM50462391 CHEMBL4238142

SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1OC

InChI Key InChIKey=LRYULQNWTCDVFL-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50462391   

TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50462391(CHEMBL4238142)
Affinity DataIC50:  1.08E+5nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50462391(CHEMBL4238142)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome c oxidase subunit 2(Homo sapiens (Human))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50462391(CHEMBL4238142)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University Of Torino

Curated by ChEMBL
LigandPNGBDBM50462391(CHEMBL4238142)
Affinity DataIC50:  400nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed