Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research					Assay Description All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	23.4	n/a	n/a	n/a	n/a	8.0	n/a
Novartis Institutes for BioMedical Research					Assay Description To assess the compounds potency in the H3K27me0 peptide (21–44)-based PRC2 enzymatic assay, compounds were serially diluted three-fold in DMSO t...				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH1/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research					Assay Description All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	53.5	n/a	n/a	n/a	n/a	8.0	n/a
Novartis Institutes for BioMedical Research					Assay Description To assess the compounds potency in the H3K27me0 peptide (21–44)-based PRC2 enzymatic assay, compounds were serially diluted three-fold in DMSO t...				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polycomb protein EED   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)				J Med Chem 60: 2215-2226 (2017) Article DOI: 10.1021/acs.jmedchem.6b01576 BindingDB Entry DOI: 10.7270/Q20G3NDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polycomb protein EED   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA				J Med Chem 60: 2215-2226 (2017) Article DOI: 10.1021/acs.jmedchem.6b01576 BindingDB Entry DOI: 10.7270/Q20G3NDT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polycomb protein EED   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	82	n/a	n/a	n/a	8.0	1,390.75
Novartis Institutes for BioMedical Research					Assay Description ITC experiments were performed by Auto ITC200 (Microcal) at 25 °C. ITC sample cell was filled with 10 μM PRC2 in titration buffer (25 mM HEPES p...				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED [40-441]/Polycomb protein SUZ12 [559-739]   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	114	n/a	n/a	n/a	8.0	1,390.75
Novartis Institutes for BioMedical Research					Assay Description ITC experiments were performed by Auto ITC200 (Microcal) at 25 °C. ITC sample cell was filled with 10 μM PRC2 in titration buffer (25 mM HEPES p...				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polycomb protein EED   (366/366 = 100%)† (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity to EED (unknown origin) by ITC method				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
					More data for this Ligand-Target Pair				3D Structure (crystal)

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