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BDBM50536666 CHEMBL4588797

SMILES: N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c(N)ncnc12)C(O)=O

InChI Key: InChIKey=XLTWYAYAFLGUEQ-OPYVMVOTSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50536666
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))	BDBM50536666 (CHEMBL4588797) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of DOT1L (unknown origin) using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount method				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041
University College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein arginine N-methyltransferase 3 (Homo sapiens)	BDBM50536666 (CHEMBL4588797) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of PRMT3 (unknown origin)				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50536666 (CHEMBL4588797) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of PRMT5 (unknown origin)				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50536666 (CHEMBL4588797) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human recombinant DOT1L (1 to 420 amino acids) expressed in Escherichia coli				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041
University College London Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50536666 (CHEMBL4588797) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of DNMT1 (unknown origin)				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50536666 (CHEMBL4588797) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)				Bioorg Med Chem Lett 26: 4518-4522 (2016) Article DOI: 10.1016/j.bmcl.2016.07.041
University College London Curated by ChEMBL					More data for this Ligand-Target Pair