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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50016430   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594944
PNG
(CHEMBL5181703)
Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
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0.300n/an/an/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM223986
PNG
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594938
PNG
(CHEMBL5201204)
Show SMILES [2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594938
PNG
(CHEMBL5201204)
Show SMILES [2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291687
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594945
PNG
(CHEMBL5180485)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(c(N)n3)-c3cnc(NCc4c5CCOc5ccc4F)n4cnnc34)cc2)C(C)(C)C)cc1 |r|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50562610
PNG
(CHEMBL4779022)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
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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
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM50594944
PNG
(CHEMBL5181703)
Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594928
PNG
(CHEMBL5171195)
Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:7|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594929
PNG
(CHEMBL5173010)
Show SMILES CCS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:8|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594930
PNG
(CHEMBL5188142)
Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:4|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594931
PNG
(CHEMBL5169768)
Show SMILES CC(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:6|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM225230
PNG
(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)
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM225230
PNG
(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)
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM291687
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594935
PNG
(CHEMBL5205261)
Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12 |c:4|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594933
PNG
(CHEMBL5193972)
Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12 |c:4|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594936
PNG
(CHEMBL5206890)
Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)n2cc(nc12)C#N
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594937
PNG
(CHEMBL5180270)
Show SMILES Cc1cc(-c2cnc(NCC3Cc4cc(F)ccc4O3)n3cc(nc23)C#N)n(C)n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594932
PNG
(CHEMBL5203240)
Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594934
PNG
(CHEMBL5171965)
Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50562612
PNG
(CHEMBL4749741)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(cc2)-c2cnc(NCc3ccco3)n3cnnc23)C(C)(C)C)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM223986
PNG
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r|
Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
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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
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50562612
PNG
(CHEMBL4749741)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(cc2)-c2cnc(NCc3ccco3)n3cnnc23)C(C)(C)C)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236003
PNG
(CHEMBL4096234)
Show SMILES N#Cc1c2CCN(Cc3ccccc3)Cc2c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235994
PNG
(CHEMBL4063655)
Show SMILES N#Cc1ccc2nncn2c1NCc1ccco1
Show InChI InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594939
PNG
(CHEMBL5187105)
Show SMILES Cc1nc(NCc2c3CCOc3ccc2F)sc1-c1ccnn1C
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n/an/a 2.10E+3n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594941
PNG
(CHEMBL5191512)
Show SMILES Cc1nc(NCc2cccc3OCOc23)sc1-c1ccn(C)n1
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n/an/a 2.10E+3n/an/an/an/an/an/a


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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236003
PNG
(CHEMBL4096234)
Show SMILES N#Cc1c2CCN(Cc3ccccc3)Cc2c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236003
PNG
(CHEMBL4096234)
Show SMILES N#Cc1c2CCN(Cc3ccccc3)Cc2c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2
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n/an/a 4.03E+3n/an/an/an/an/an/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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594940
PNG
(CHEMBL5174215)
Show SMILES Cc1nc(NCc2c3CCOc3ccc2F)sc1-c1cccnc1C
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n/an/a 5.60E+3n/an/an/an/an/an/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM225230
PNG
(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)
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n/an/a>3.00E+4n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50563659
PNG
(CHEMBL4759335)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(N)cc2F)n2cnnc12
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n/an/an/a 0.5n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50563657
PNG
(CHEMBL4762963)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(Cl)cc2F)n2cnnc12
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n/an/an/a 2.40n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594939
PNG
(CHEMBL5187105)
Show SMILES Cc1nc(NCc2c3CCOc3ccc2F)sc1-c1ccnn1C
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n/an/an/a 900n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50563656
PNG
(CHEMBL4754048)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(F)cc2F)n2cnnc12
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n/an/an/a 1.20n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291687
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
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n/an/an/a 0.400n/an/an/an/an/a


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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594942
PNG
(CHEMBL5204429)
Show SMILES [H][C@]12COc3ccc(F)c(CNc4c(OC1)cc(-c1cccnc1C)c1nncn41)c23 |r|
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n/an/an/a 163n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594941
PNG
(CHEMBL5191512)
Show SMILES Cc1nc(NCc2cccc3OCOc23)sc1-c1ccn(C)n1
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n/an/an/a 5.20E+3n/an/an/an/an/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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50282163
PNG
(CHEMBL4171889)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C34H56N6O4/c1-22(2)19-28(31(35)41)38-33(43)29(20-24-13-7-6-8-14-24)39-32(42)27(17-11-12-18-40(5)23(3)4)37-34(44)30-21-25-15-9-10-16-26(25)36-30/h6-8,13-14,22-23,25-30,36H,9-12,15-21H2,1-5H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,42)/t25-,26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 680n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50282157
PNG
(CHEMBL4161291)
Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C33H53N5O3/c1-24(2)37(3)19-13-10-18-28(35-32(40)29-23-26-16-8-9-17-27(26)34-29)31(39)36-30(22-25-14-6-4-7-15-25)33(41)38-20-11-5-12-21-38/h4,6-7,14-15,24,26-30,34H,5,8-13,16-23H2,1-3H3,(H,35,40)(H,36,39)/t26-,27-,28-,29-,30-/m0/s1
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n/an/an/a 1.14E+3n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50282164
PNG
(CHEMBL4164708)
Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O |r|
Show InChI InChI=1S/C33H56N10O7/c1-21(32(49)50-5)39-31(48)26(20-22-12-7-6-8-13-22)42-30(47)24(14-9-10-19-43(2,3)4)41-29(46)25(15-11-18-38-33(36)37)40-28(45)23(34)16-17-27(35)44/h6-8,12-13,21,23-26H,9-11,14-20,34H2,1-5H3,(H9-,35,36,37,38,39,40,41,42,44,45,46,47,48)/p+1/t21-,23-,24-,25-,26-/m0/s1
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n/an/an/a 8.82E+3n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50096619
PNG
(1,8,9-Trihydroxy-3-methoxy-benzo[4,5]furo[3,2-c]ch...)
Show SMILES COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
Show InChI InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
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n/an/an/a 2.82E+3n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/an/a 1.51E+4n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594945
PNG
(CHEMBL5180485)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(c(N)n3)-c3cnc(NCc4c5CCOc5ccc4F)n4cnnc34)cc2)C(C)(C)C)cc1 |r|
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n/an/an/a 0.631n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50562610
PNG
(CHEMBL4779022)
Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r|
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n/an/an/a 0.537n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594940
PNG
(CHEMBL5174215)
Show SMILES Cc1nc(NCc2c3CCOc3ccc2F)sc1-c1cccnc1C
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n/an/an/a 3.70E+3n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50594943
PNG
(CHEMBL5172462)
Show SMILES CCOP(=O)(OCC)C(NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)\C=C\c1ccc(cc1)-c1ccccc1)P(=O)(OCC)OCC |r|
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n/an/an/a 2.71E+3n/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50563658
PNG
(CHEMBL4748924)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(cc2F)C#N)n2cnnc12
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n/an/an/a 15n/an/an/an/an/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
3D Structure (crystal)