BDBM50431676 CHEMBL2349526

SMILES c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)Br

InChI Key InChIKey=DIULHULFPSIBAK-UHFFFAOYSA-N

Data  5 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50431676   

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataIC50: 77nMAssay Description:Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein arginine N-methyltransferase 5(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 1(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetNicotinamide N-methyltransferase(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataIC50: 77nMAssay Description:Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataKi:  38nMAssay Description:Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNicotinamide N-methyltransferase(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataKi:  750nMAssay Description:Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 1(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataKi:  950nMAssay Description:Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProtein arginine N-methyltransferase 5(Human)
Entremed

Curated by ChEMBL
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataKi:  1.15E+3nMAssay Description:Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
LigandPNGBDBM50431676(CHEMBL2349526)
Affinity DataKi:  1.15E+3nMAssay Description:Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed