Found 11 hits Enz. Inhib. hit(s) with Target = 'Polycomb protein EED' and Ligand = 'BDBM225230' 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 |
|---|
Polycomb protein EED
(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
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of biotinylated H3K27Me3 peptide (19 to 33 residues) binding to His-tagged EED (1 to 441 residues) (unknown origin) preincubated for 15 mi... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01059
BindingDB Entry DOI: 10.7270/Q2GM8C4J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Polycomb protein EED
(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
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 mins before biotin-H3K27me3 (19 to 33 residues) addition and further inc... |
J Med Chem 63: 7252-7267 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00479
BindingDB Entry DOI: 10.7270/Q2D50RHW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(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
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(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
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED in PRC2 complex (unknown origin) using H3K27me0 (21 to 44 residue) peptide as substrate by LC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(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
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(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
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of UNC5114-biotin tracer ligand from N-terminal 6His-tagged EED (1 to 441 residues) (unknown origin) expressed in Escherichia coli Roset... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01344
BindingDB Entry DOI: 10.7270/Q23R0XMC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(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
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(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
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| 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
(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
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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
(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
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| 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) |
Polycomb protein EED
(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
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| 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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