null

SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nn(C)nc3O)c2c1

InChI Key InChIKey=VMWMPCWXXQLXIO-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50509973   

TargetAldo-keto reductase family 1 member C2(Homo sapiens (Human))
University of Turin

Curated by ChEMBL
LigandPNGBDBM50509973(CHEMBL4590005)copy SMILEScopy InChI
Affinity DataIC50: 1.43E+4nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as reduction in NAD...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2SPSPubMed
TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
University of Turin

Curated by ChEMBL
LigandPNGBDBM50509973(CHEMBL4590005)copy SMILEScopy InChI
Affinity DataIC50: 940nMAssay Description:Inhibition of N-terminal GST-tagged recombinant human AKR1C3 His5Gln mutant expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as r...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2SPSPubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University of Turin

Curated by ChEMBL
LigandPNGBDBM50509973(CHEMBL4590005)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2HT2SPSPubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Turin

Curated by ChEMBL
LigandPNGBDBM50509973(CHEMBL4590005)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2HT2SPSPubMed