BindingDB PrimarySearch

BDBM50446376 CHEMBL3109630

SMILES: COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1

InChI Key: InChIKey=BKCDJTRMYWSXMC-UHFFFAOYSA-N

Data: 12 IC50 3 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50446376
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 G9a (G9a) (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
CNRS-Pierre Fabre Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	207	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 FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522
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))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of GLP (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
AbbVie Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
AbbVie Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay				ACS Med Chem Lett 5: 205-9 (2014) Article DOI: 10.1021/ml400496h BindingDB Entry DOI: 10.7270/Q2FT8NJ0
AbbVie Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by AlphaLI...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem BV Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...				Bioorg Med Chem Lett 29: 2516-2524 (2019) Article DOI: 10.1016/j.bmcl.2019.06.012
Mercachem BV Curated by ChEMBL					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem BV Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...				Bioorg Med Chem Lett 29: 2516-2524 (2019) Article DOI: 10.1016/j.bmcl.2019.06.012
Mercachem BV Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	72	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 biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522
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/EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	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 G9a (unknown origin)				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of H3(1-12)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) c...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522
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))	BDBM50446376 (CHEMBL3109630) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)				Bioorg Med Chem 24: 6102-6108 (2016) Article DOI: 10.1016/j.bmc.2016.09.071 BindingDB Entry DOI: 10.7270/Q29C70D7
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)