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SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1

InChI Key InChIKey=BKCDJTRMYWSXMC-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50446376   

TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMAssay Description:Inhibition of G9a (unknown origin)More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT1(Homo sapiens (Human))TBA
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Inhibition of GLP (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8NJ0PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMAssay Description:Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assayMore data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+3nMAssay Description:Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...More data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataKd:  393nMAssay Description:Binding affinity to recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 186nMAssay Description:Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by AlphaLI...More data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataKd:  180nMAssay Description:Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT1(Homo sapiens (Human))TBA
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZW1Q8XPubMed
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...More data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 72nMAssay Description:Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of G9a (unknown origin)More data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataKd:  110nMAssay Description:Inhibition of H3(1-12)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) c...More data for this Ligand-Target Pair
TargetSpindlin-1(Homo sapiens)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 207nMAssay Description:Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 5.80nMMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 2.80nMMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
CNRS-Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50446376(CHEMBL3109630)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMAssay Description:Inhibition of G9a (unknown origin)More data for this Ligand-Target Pair