BindingDB PrimarySearch

BDBM50294573 (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-aminoethylthio)methyl)tetrahydrofuran-3,4-diol::5'-(Aminoethylthio)-5'-deoxy-adenosine::5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE::CHEMBL563938

SMILES: NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=APAPOJUCRZTCHD-WOUKDFQISA-N

Data: 1 KI 2 IC50

PDB links: 8 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50294573
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50294573 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter				J Med Chem 55: 8066-74 (2012) Article DOI: 10.1021/jm300917h BindingDB Entry DOI: 10.7270/Q2TD9ZGG
Baylor College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50294573 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars		2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus)	BDBM50294573 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...) Show SMILES Show InChI	PDB KEGG GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars		1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294573 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
MethylGene Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50294573 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
MethylGene Inc. Curated by ChEMBL					More data for this Ligand-Target Pair