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Compile Data Set for Download or QSAR

Found 1106 hits of ic50 data for polymerid = 9556   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540013
PNG
(CHEMBL4637096)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C(F)F)c12
Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)21-19-14(12-2-4-17(20(24)25)26-8-12)9-27-22(30(19)11-29-21)28-10-15-13-6-7-33-18(13)5-3-16(15)23/h2-5,8-9,11,20H,6-7,10H2,1H3,(H,27,28)
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n/an/a 0.200n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540012
PNG
(CHEMBL4637520)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C3CC3)c12
Show InChI InChI=1S/C24H22FN5O3S/c1-34(31,32)23-22-17(15-4-6-20(26-10-15)14-2-3-14)11-27-24(30(22)13-29-23)28-12-18-16-8-9-33-21(16)7-5-19(18)25/h4-7,10-11,13-14H,2-3,8-9,12H2,1H3,(H,27,28)
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n/an/a 0.200n/an/an/an/an/an/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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573351
PNG
(CHEMBL4870920)
Show SMILES CC(C)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:31,t:12,14|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540014
PNG
(CHEMBL4638412)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H17F4N5O3S/c1-35(32,33)20-19-14(12-2-5-18(27-8-12)22(24,25)26)9-28-21(31(19)11-30-20)29-10-15-13-6-7-34-17(13)4-3-16(15)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540017
PNG
(CHEMBL4644746)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4N5O3S/c1-12-13(3-6-19(31-12)23(25,26)27)16-10-29-22(32-11-30-21(20(16)32)36(2,33)34)28-9-15-14-7-8-35-18(14)5-4-17(15)24/h3-6,10-11H,7-9H2,1-2H3,(H,28,29)
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n/an/a 0.400n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573346
PNG
(CHEMBL4865691)
Show SMILES Cn1ncc2c1CNC(=O)C1N=CN3C1C2=CN=C3NCc1c2CCOc2ccc1F |c:12,20,t:18|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540009
PNG
(CHEMBL4643880)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C22H18F2N4O3S/c1-32(29,30)21-20-16(13-2-4-14(23)5-3-13)10-25-22(28(20)12-27-21)26-11-17-15-8-9-31-19(15)7-6-18(17)24/h2-7,10,12H,8-9,11H2,1H3,(H,25,26)
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n/an/a 0.400n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM451070
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(cc3)S(C)(=O)=O)c12
Show InChI InChI=1S/C23H21FN4O5S2/c1-34(29,30)15-5-3-14(4-6-15)17-11-25-23(28-13-27-22(21(17)28)35(2,31)32)26-12-18-16-9-10-33-20(16)8-7-19(18)24/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540011
PNG
(CHEMBL4645310)
Show SMILES Cc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-3-4-14(9-24-13)16-10-25-22(28-12-27-21(20(16)28)32(2,29)30)26-11-17-15-7-8-31-19(15)6-5-18(17)23/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26)
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n/an/a 0.400n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540016
PNG
(CHEMBL4635558)
Show SMILES Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN5O3S/c1-13-4-5-15(14(2)28-13)18-11-26-23(29-12-27-22(21(18)29)33(3,30)31)25-10-17-16-8-9-32-20(16)7-6-19(17)24/h4-7,11-12H,8-10H2,1-3H3,(H,25,26)
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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
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573335
PNG
(CHEMBL4851576)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1ccccc21 |c:16,20,t:14|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540018
PNG
(CHEMBL4642335)
Show SMILES Cn1cc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C20H19FN6O3S/c1-26-10-12(7-25-26)14-8-22-20(27-11-24-19(18(14)27)31(2,28)29)23-9-15-13-5-6-30-17(13)4-3-16(15)21/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,22,23)
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573350
PNG
(CHEMBL4877375)
Show SMILES CCN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:30,t:11,13|
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n/an/a 0.600n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573363
PNG
(CHEMBL4860499)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(CC1CCOCC1)Cc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573339
PNG
(CHEMBL4872891)
Show SMILES Fc1ccc2C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C(=O)NCc2c1 |c:24,t:5,7|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573349
PNG
(CHEMBL4869420)
Show SMILES CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:29,t:10,12|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573345
PNG
(CHEMBL4859559)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573343
PNG
(CHEMBL4861749)
Show SMILES Cc1ccc2C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C(=O)NCc2n1 |c:24,t:5,7|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573337
PNG
(CHEMBL4873268)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1ncccc21 |c:16,20,t:14|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573359
PNG
(CHEMBL4850823)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CCOCC1 |c:16,20,t:14|
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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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540007
PNG
(CHEMBL4640949)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccccc3)c12
Show InChI InChI=1S/C22H19FN4O3S/c1-31(28,29)21-20-16(14-5-3-2-4-6-14)11-24-22(27(20)13-26-21)25-12-17-15-9-10-30-19(15)8-7-18(17)23/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)
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n/an/a 0.700n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540015
PNG
(CHEMBL4640556)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(nc3)S(C)(=O)=O)c12
Show InChI InChI=1S/C22H20FN5O5S2/c1-34(29,30)19-6-3-13(9-24-19)15-10-25-22(28-12-27-21(20(15)28)35(2,31)32)26-11-16-14-7-8-33-18(14)5-4-17(16)23/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,26)
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n/an/a 0.800n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573353
PNG
(CHEMBL4856280)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CCC1 |c:16,20,t:14|
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n/an/a 0.800n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573357
PNG
(CHEMBL4878932)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CC(F)(F)C1 |c:16,20,t:14|
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n/an/a 0.800n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573338
PNG
(CHEMBL4862163)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1c(F)cccc21 |c:16,20,t:14|
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n/an/a 0.800n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291686
PNG
(8-(1,3-Dimethyl-1H-pyrazol-5-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n(C)n1
Show InChI InChI=1S/C19H18FN7O/c1-11-7-16(26(2)25-11)14-9-22-19(27-10-23-24-18(14)27)21-8-13-12-5-6-28-17(12)4-3-15(13)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22)
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50540010
PNG
(CHEMBL4649099)
Show SMILES Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C24H23FN4O5S2/c1-14-10-15(35(2,30)31)4-5-16(14)19-12-27-24(29-13-28-23(22(19)29)36(3,32)33)26-11-18-17-8-9-34-21(17)7-6-20(18)25/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,26,27)
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n/an/a 0.900n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291695
PNG
(3-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES [O-][N]1=CC(=CC=C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:3,5,t:1|
Show InChI InChI=1S/C19H15FN6O2/c20-16-3-4-17-13(5-7-28-17)15(16)9-22-19-21-8-14(18-24-23-11-26(18)19)12-2-1-6-25(27)10-12/h1-4,6,8,10-11H,5,7,9H2,(H-,21,22,27)/q-1
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573364
PNG
(CHEMBL4854206)
Show SMILES CN1CCC(CN2Cc3cc(ncc3C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C2=O)C(F)(F)F)CC1 |c:34,t:15,17|
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n/an/a 1n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573360
PNG
(CHEMBL4856160)
Show SMILES CC1CC(CC(C)O1)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:37,t:18,20|
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n/an/a 1n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573361
PNG
(CHEMBL4850847)
Show SMILES OC1(CN2Cc3cc(ncc3C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C2=O)C(F)(F)F)CC1 |c:31,t:12,14|
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n/an/a 1.10n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573341
PNG
(CHEMBL4847943)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)NCc1cc(ccc21)C(F)(F)F |c:16,20,t:14|
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n/an/a 1.20n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291815
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(=O)N1CCCC1
Show InChI InChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29)
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291925
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2ccnc2)c2nncn12
Show InChI InChI=1S/C17H14FN7O/c18-13-1-2-15-11(3-6-26-15)12(13)7-20-17-21-8-14(24-5-4-19-9-24)16-23-22-10-25(16)17/h1-2,4-5,8-10H,3,6-7H2,(H,20,21)
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573355
PNG
(CHEMBL4861394)
Show SMILES CC(F)(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|
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n/an/a 1.40n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291908
PNG
(8-(6-((dimethylamino)methyl)-2-methylpyridin-3-yl)...)
Show SMILES CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C23H24FN7O/c1-14-16(5-4-15(28-14)12-30(2)3)19-11-26-23(31-13-27-29-22(19)31)25-10-18-17-8-9-32-21(17)7-6-20(18)24/h4-7,11,13H,8-10,12H2,1-3H3,(H,25,26)
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573352
PNG
(CHEMBL4871261)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(Cc1cc(ncc21)C(F)(F)F)C1CC1 |c:16,20,t:14|
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n/an/a 1.5n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573358
PNG
(CHEMBL4849266)
Show SMILES CC(C)(O)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|
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n/an/a 1.60n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573354
PNG
(CHEMBL4854800)
Show SMILES FC(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:32,t:13,15|
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n/an/a 1.60n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573365
PNG
(CHEMBL4858089)
Show SMILES Fc1ccc2OCCc2c1CNC1=NC=C2C3C(N=CN13)C(=O)N(CC1COCCO1)Cc1cc(ncc21)C(F)(F)F |c:16,20,t:14|
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n/an/a 1.60n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50573362
PNG
(CHEMBL4858561)
Show SMILES CC1(O)CC(CN2Cc3cc(ncc3C3=CN=C(NCc4c5CCOc5ccc4F)N4C=NC(C34)C2=O)C(F)(F)F)C1 |c:34,t:15,17,(22.35,-61.15,;23.84,-61.56,;22.74,-62.65,;24.41,-60.13,;25.83,-60.7,;27.25,-60.09,;27.42,-58.56,;26.06,-57.8,;25.64,-56.32,;24.08,-56.36,;23.27,-55.03,;24.02,-53.66,;25.58,-53.62,;26.39,-54.96,;27.88,-54.53,;27.74,-53.07,;29.03,-52.21,;30.42,-52.89,;31.7,-52.04,;33.08,-52.72,;34.36,-51.87,;35.74,-52.54,;36.15,-54.02,;37.68,-54.08,;38.22,-52.65,;37.02,-51.7,;36.92,-50.16,;35.53,-49.48,;34.25,-50.33,;32.87,-49.66,;30.52,-54.44,;31.73,-55.39,;31.2,-56.83,;29.66,-56.77,;29.24,-55.29,;28.91,-58.13,;29.87,-59.34,;21.73,-55.07,;21.72,-56.61,;20.39,-55.83,;20.93,-53.75,;25.27,-62.13,)|
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n/an/a 1.80n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM450978
PNG
(1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)
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n/an/a 1.80n/an/an/an/an/an/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
Polycomb protein EED


(Homo sapiens (Human))
BDBM291823
PNG
(8-(4-chloro-6-methoxypyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES COc1cc(Cl)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H16ClFN6O2/c1-29-18-6-15(21)12(7-23-18)14-9-25-20(28-10-26-27-19(14)28)24-8-13-11-4-5-30-17(11)3-2-16(13)22/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,24,25)
PDB

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antibodypedia
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
PDB

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antibodypedia
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291918
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C18H16FN7O/c1-11-8-25(9-22-11)15-7-21-18(26-10-23-24-17(15)26)20-6-13-12-4-5-27-16(12)3-2-14(13)19/h2-3,7-10H,4-6H2,1H3,(H,20,21)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US10647700, Compound EPZ...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/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
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