BDBM50300041 7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine::7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine::CHEMBL576781::UNC0224

SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1

InChI Key InChIKey=XIVUGRBSBIXXJE-UHFFFAOYSA-N

Data  2 KI  17 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  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 21 hits for monomerid = 50300041   

TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataKd:  23nMAssay Description:Binding affinity to G9a by isothermal titration colorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 15nMAssay Description:Inhibition of G9a (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 60nMAssay 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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Mercachem

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 23nMAssay 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
PubMed
TargetN-lysine methyltransferase KMT5A(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 4.00E+4nMAssay Description:Activity at methyl transferase activity SET8/preSet7 by enzyme coupled S-adenocylehomocystein detection assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 15nMAssay Description:Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 43nMAssay Description:Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 15nMAssay Description:Inhibition of lysine methyltransferase G9aMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD7(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 4.00E+4nMAssay Description:Activity at methyl transferase activity SET7/9 by enzyme coupled S-adenocylehomocystein detection assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Mercachem

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 20nMAssay Description:Inhibition of GLP by Thioglo assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataKd:  23nMAssay Description:Binding affinity to G9a by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 4.30E+4nMAssay Description:Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Mercachem

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 58nMAssay Description:Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 5.70E+4nMAssay Description:Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProtein arginine N-methyltransferase 3 [N508S](Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 4.00E+4nMAssay Description:Activity at methyl transferase activity PRMT3 by enzyme coupled S-adenocylehomocystein detection assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Mercachem

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 50nMAssay Description:Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 15nMAssay Description:Inhibition of G9a by Thioglo assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Mercachem

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataIC50: 58nMAssay Description:Inhibition of GLP by Alpha screen assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataKi:  2.60nMAssay Description:Binding affinity to human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by isothermal titration ca...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50300041(7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl...)
Affinity DataKi:  2.60nMAssay Description:Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)