BindingDB PrimarySearch

BDBM50378739 SINEFUNGIN

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

InChI Key: InChIKey=LMXOHSDXUQEUSF-YECHIGJVSA-N

Data: 2 KI 13 IC50 1 Kd

PDB links: 104 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50378739
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
Protein-beta-aspartate methyltransferase (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
C.N.R.S. Curated by ChEMBL					More data for this Ligand-Target Pair
Protein-beta-aspartate methyltransferase (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using protein extracted from the 12000g pellet(P12).				J Med Chem 35: 63-7 (1992) BindingDB Entry DOI: 10.7270/Q2T1548J
C.N.R.S. Curated by ChEMBL					More data for this Ligand-Target Pair
Thiopurine S-methyltransferase (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research and Development, LLC Curated by ChEMBL					Assay Description Binding affinity to thiopurine methyltransferase (unknown origin) by NMR analysis				J Med Chem 57: 7819-37 (2014) Article DOI: 10.1021/jm500325k BindingDB Entry DOI: 10.7270/Q2JW8GH3
					More data for this Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9) (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Park Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant SET7 after 90 mins by SDS-PAGE based scintillation counting				Bioorg Med Chem Lett 20: 2103-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.069 BindingDB Entry DOI: 10.7270/Q2WQ04SW
University Park Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of EHMT2 (unknown origin)				Bioorg Med Chem 25: 4579-4594 (2017) Article DOI: 10.1016/j.bmc.2017.06.032 BindingDB Entry DOI: 10.7270/Q2CC135P
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of EHMT1 (unknown origin)				Bioorg Med Chem 25: 4579-4594 (2017) Article DOI: 10.1016/j.bmc.2017.06.032 BindingDB Entry DOI: 10.7270/Q2CC135P
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...				Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of EHMT1 (unknown origin) preincubated for 5 mins followed by SAM and biotinylated H3K9 peptide addition measured after 120 mins by HTRF a...				Bioorg Med Chem 25: 4579-4594 (2017) Article DOI: 10.1016/j.bmc.2017.06.032 BindingDB Entry DOI: 10.7270/Q2CC135P
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of EHMT2 (unknown origin) preincubated for 15 mins followed by SAM and biotinylated H3K9 peptide addition measured after 30 mins by TR-FRE...				Bioorg Med Chem 25: 4579-4594 (2017) Article DOI: 10.1016/j.bmc.2017.06.032 BindingDB Entry DOI: 10.7270/Q2CC135P
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (NNMT) (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation...				J Med Chem 62: 6597-6614 (2019) Article DOI: 10.1021/acs.jmedchem.9b00413
Leiden University Curated by ChEMBL					More data for this Ligand-Target Pair
NS5 (Zika virus)	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using GpppAC4 as substrate in presence of [3H]SAM incubated for 3...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775
					More data for this Ligand-Target Pair
NS5 (Zika virus)	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using A27 RNA as substrate in presence of [3H]SAM incubated for 3...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of full-length N-terminal FLAG-tagged PRMT5 (unknown origin) (1 to 637 residues) expressed in baculovirus infected Sf9 insect cells using ...				Bioorg Med Chem Lett 28: 3693-3699 (2018) Article DOI: 10.1016/j.bmcl.2018.10.026
University of Jinan Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nonstructural protein 5 (Dengue virus)	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting an...				J Med Chem 59: 5622-49 (2016) Article DOI: 10.1021/acs.jmedchem.5b01653
Heidelberg University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...				ACS Med Chem Lett 5: 293-7 (2014) Article DOI: 10.1021/ml4002503 BindingDB Entry DOI: 10.7270/Q2N58NWS
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50378739 (SINEFUNGIN) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...				ACS Med Chem Lett 5: 293-7 (2014) Article DOI: 10.1021/ml4002503 BindingDB Entry DOI: 10.7270/Q2N58NWS
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair