BindingDB PrimarySearch

BDBM50396024 CHEMBL1232453

SMILES: COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN

InChI Key: InChIKey=DCGOBPRQIYFVOD-UHFFFAOYSA-N

Data: 4 IC50 3 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50396024
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 EHMT1 (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to recombinant human GLP (951 to 1235) by isothermal titration calorimetric analysis				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of recombinant human GLP (951 to 1235) using Histone H3 peptide (1 to 15) as substrate preincubated on ice for 10 mins followed by 5 mins ...				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by mass spectrophotometric assay				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M.D. Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition of GLP (unknown origin)				J Med Chem 62: 2666-2689 (2019) Article DOI: 10.1021/acs.jmedchem.8b02008
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by isothermal titration ca...				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas M.D. Anderson Cancer Center Curated by ChEMBL					Assay Description Inhibition G9a (unknown origin)				J Med Chem 62: 2666-2689 (2019) Article DOI: 10.1021/acs.jmedchem.8b02008
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50396024 (CHEMBL1232453) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human recombinant GLP catalytic domain amino acid 951 to 1235 expressed in Escherichia coli BL21 (DE3) by isothermal titration ca...				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)