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Compile Data Set for Download or QSAR

Found 389 hits with Last Name = 'jakob' and Initial = 'cg'   
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 (EED)


(Homo sapiens (Human))
BDBM50235631
PNG
(CHEMBL4060827)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12
Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235630
PNG
(CHEMBL4093096)
Show SMILES CN(C)[C@H]1CC(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1S/C27H36FN3O2S/c1-29(2)26-18-21(23-12-9-20-5-4-6-25(28)27(20)23)17-24(26)19-7-10-22(11-8-19)30-13-15-31(16-14-30)34(3,32)33/h4-8,10-11,21,23-24,26H,9,12-18H2,1-3H3/t21?,23?,24-,26+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
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0.400 -53.6n/an/an/an/an/a7.525



AbbVie Inc



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235643
PNG
(CHEMBL4076017)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1C1CCN(CC1)c1ccc(cn1)C(N)=O)C1CCc2cccc(F)c12
Show InChI InChI=1S/C26H34FN5O/c1-30(2)23-16-32(22-8-6-18-4-3-5-21(27)25(18)22)15-20(23)17-10-12-31(13-11-17)24-9-7-19(14-29-24)26(28)33/h3-5,7,9,14,17,20,22-23H,6,8,10-13,15-16H2,1-2H3,(H2,28,33)/t20-,22?,23+/m1/s1
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0.450n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
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0.5 -53.1n/an/an/an/an/a7.525



AbbVie Inc



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235658
PNG
(CHEMBL4073166)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1C1CCN(CC1)c1cnc(cn1)C(N)=O
Show InChI InChI=1S/C24H33FN6O/c1-16-5-4-6-20(25)18(16)13-30-14-19(22(15-30)29(2)3)17-7-9-31(10-8-17)23-12-27-21(11-28-23)24(26)32/h4-6,11-12,17,19,22H,7-10,13-15H2,1-3H3,(H2,26,32)/t19-,22+/m1/s1
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0.650n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235644
PNG
(CHEMBL4065766)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)N1CCN(C)C(=O)C1
Show InChI InChI=1S/C28H36FN5O/c1-19-8-6-10-24(29)21(19)15-33-16-23(26(17-33)30(2)3)22-14-32(5)28-20(22)9-7-11-25(28)34-13-12-31(4)27(35)18-34/h6-11,14,23,26H,12-13,15-18H2,1-5H3/t23-,26+/m1/s1
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0.740n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1 -50.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1 -50.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235632
PNG
(CHEMBL4077363)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)C(=O)N1CC(F)C1
Show InChI InChI=1S/C27H32F2N4O/c1-17-7-5-10-24(29)21(17)14-32-15-23(25(16-32)30(2)3)22-13-31(4)26-19(22)8-6-9-20(26)27(34)33-11-18(28)12-33/h5-10,13,18,23,25H,11-12,14-16H2,1-4H3/t23-,25+/m1/s1
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1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (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
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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1 -51.4n/an/an/an/an/a7.525



AbbVie Inc



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11645
PNG
(2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...)
Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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2 -49.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235649
PNG
(CHEMBL4059553)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C29H36FN5/c1-22-7-6-8-27(30)25(22)19-33-20-26(28(21-33)32(2)3)23-10-12-24(13-11-23)34-15-17-35(18-16-34)29-9-4-5-14-31-29/h4-14,26,28H,15-21H2,1-3H3/t26-,28+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235648
PNG
(CHEMBL4081496)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H35FN4O/c1-19-6-5-7-25(27)23(19)16-29-17-24(26(18-29)28(3)4)21-8-10-22(11-9-21)31-14-12-30(13-15-31)20(2)32/h5-11,24,26H,12-18H2,1-4H3/t24-,26+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235647
PNG
(CHEMBL4068192)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C25H30FN5O/c1-17-5-4-6-23(26)21(17)13-30-14-22(24(15-30)29(2)3)19-9-7-18(8-10-19)20-11-28-31(12-20)16-25(27)32/h4-12,22,24H,13-16H2,1-3H3,(H2,27,32)/t22-,24+/m1/s1
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2.60n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) from rat kidney


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11645
PNG
(2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...)
Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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3 -48.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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4 -47.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223985
PNG
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1
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4 -47.9n/an/an/an/an/a7.525



AbbVie Inc



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235660
PNG
(CHEMBL4072329)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(nc1)C1=CCN(CC1)C(=O)CS(C)(=O)=O
Show InChI InChI=1S/C27H35FN4O3S/c1-19-6-5-7-24(28)22(19)15-31-16-23(26(17-31)30(2)3)21-8-9-25(29-14-21)20-10-12-32(13-11-20)27(33)18-36(4,34)35/h5-10,14,23,26H,11-13,15-18H2,1-4H3/t23-,26+/m1/s1
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4.60n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235659
PNG
(CHEMBL4077273)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(CC(=O)N(C)C)c2ncccc12
Show InChI InChI=1S/C25H32FN5O/c1-17-8-6-10-22(26)19(17)12-30-13-21(23(15-30)28(2)3)20-14-31(16-24(32)29(4)5)25-18(20)9-7-11-27-25/h6-11,14,21,23H,12-13,15-16H2,1-5H3/t21-,23+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11642
PNG
((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
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8 -45.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Polycomb protein EED (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
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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11n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11642
PNG
((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
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12 -44.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223985
PNG
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1
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12n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235626
PNG
(CHEMBL4075197)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1
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13n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235651
PNG
(CHEMBL4089371)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C23H30FN3O/c1-16-7-6-8-21(24)19(16)13-27-14-20(22(15-27)25(2)3)17-9-11-18(12-10-17)23(28)26(4)5/h6-12,20,22H,13-15H2,1-5H3/t20-,22+/m1/s1
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18n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235642
PNG
(CHEMBL4068811)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2c(cccc12)C(=O)N(C)C
Show InChI InChI=1S/C25H30BrFN4O/c1-28(2)23-15-31(14-20-21(26)10-7-11-22(20)27)13-19(23)18-12-30(5)24-16(18)8-6-9-17(24)25(32)29(3)4/h6-12,19,23H,13-15H2,1-5H3/t19-,23+/m1/s1
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23n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11643
PNG
((2S,5R)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-p...)
Show SMILES CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
Show InChI InChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1
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30 -42.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235653
PNG
(CHEMBL4087904)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ccccc12
Show InChI InChI=1S/C24H29N3/c1-25(2)24-16-27(23-13-12-17-8-4-5-9-18(17)23)15-21(24)20-14-26(3)22-11-7-6-10-19(20)22/h4-11,14,21,23-24H,12-13,15-16H2,1-3H3/t21-,23+,24+/m1/s1
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45n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235657
PNG
(CHEMBL4065124)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccncc1
Show InChI InChI=1S/C18H21BrFN3/c1-22(2)18-12-23(10-14(18)13-6-8-21-9-7-13)11-15-16(19)4-3-5-17(15)20/h3-9,14,18H,10-12H2,1-2H3/t14-,18+/m1/s1
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49n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235627
PNG
(CHEMBL4095605)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Cl)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C22H25ClFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1
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53n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235650
PNG
(CHEMBL4079061)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C20H25FN2/c1-15-8-7-11-19(21)17(15)12-23-13-18(20(14-23)22(2)3)16-9-5-4-6-10-16/h4-11,18,20H,12-14H2,1-3H3/t18-,20+/m1/s1
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56n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11643
PNG
((2S,5R)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-p...)
Show SMILES CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
Show InChI InChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1
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56 -41.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235636
PNG
(CHEMBL4104796)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCOCC1
Show InChI InChI=1S/C18H26BrFN2O/c1-21(2)18-12-22(10-14(18)13-6-8-23-9-7-13)11-15-16(19)4-3-5-17(15)20/h3-5,13-14,18H,6-12H2,1-2H3/t14-,18+/m1/s1
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59n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235639
PNG
(CHEMBL4062773)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ccc(F)cc12
Show InChI InChI=1S/C24H28FN3/c1-26(2)24-15-28(23-11-9-16-8-10-17(25)12-19(16)23)14-21(24)20-13-27(3)22-7-5-4-6-18(20)22/h4-8,10,12-13,21,23-24H,9,11,14-15H2,1-3H3/t21-,23+,24+/m1/s1
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66n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235654
PNG
(CHEMBL4086916)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CC1
Show InChI InChI=1S/C16H22BrFN2/c1-19(2)16-10-20(8-12(16)11-6-7-11)9-13-14(17)4-3-5-15(13)18/h3-5,11-12,16H,6-10H2,1-2H3/t12-,16+/m1/s1
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71n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235640
PNG
(CHEMBL4084449)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C25H31N3/c1-26(2)25-17-28(24-14-8-10-18-9-4-5-11-19(18)24)16-22(25)21-15-27(3)23-13-7-6-12-20(21)23/h4-7,9,11-13,15,22,24-25H,8,10,14,16-17H2,1-3H3/t22-,24+,25+/m1/s1
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78n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235656
PNG
(CHEMBL4085375)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccc1
Show InChI InChI=1S/C19H22BrFN2/c1-22(2)19-13-23(11-15(19)14-7-4-3-5-8-14)12-16-17(20)9-6-10-18(16)21/h3-10,15,19H,11-13H2,1-2H3/t15-,19+/m1/s1
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78n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235652
PNG
(CHEMBL4066584)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@@H]1CCc2cccc(F)c12
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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129n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235638
PNG
(CHEMBL4104253)
Show SMILES CN(C)[C@H]1CN(Cc2cc(C)ccc2F)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C23H28FN3/c1-16-9-10-21(24)17(11-16)12-27-14-20(23(15-27)25(2)3)19-13-26(4)22-8-6-5-7-18(19)22/h5-11,13,20,23H,12,14-15H2,1-4H3/t20-,23+/m1/s1
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160n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235635
PNG
(CHEMBL4086565)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCCCC1
Show InChI InChI=1S/C19H28BrFN2/c1-22(2)19-13-23(11-15(19)14-7-4-3-5-8-14)12-16-17(20)9-6-10-18(16)21/h6,9-10,14-15,19H,3-5,7-8,11-13H2,1-2H3/t15-,19+/m1/s1
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230n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235641
PNG
(CHEMBL4073650)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2ncccc12
Show InChI InChI=1S/C23H28N4/c1-25(2)23-15-27(22-11-10-20-17(22)8-6-12-24-20)14-19(23)18-13-26(3)21-9-5-4-7-16(18)21/h4-9,12-13,19,22-23H,10-11,14-15H2,1-3H3/t19-,22+,23+/m1/s1
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260n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235637
PNG
(CHEMBL4103354)
Show SMILES CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C22H26FN3/c1-24(2)22-15-26(12-16-8-4-6-10-20(16)23)14-19(22)18-13-25(3)21-11-7-5-9-17(18)21/h4-11,13,19,22H,12,14-15H2,1-3H3/t19-,22+/m1/s1
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330n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235655
PNG
(CHEMBL4097080)
Show SMILES C[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1N(C)C
Show InChI InChI=1S/C14H20BrFN2/c1-10-7-18(9-14(10)17(2)3)8-11-12(15)5-4-6-13(11)16/h4-6,10,14H,7-9H2,1-3H3/t10-,14-/m0/s1
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380n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV.


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223984
PNG
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C
Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1
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600n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235645
PNG
(CHEMBL4099707)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1COc2cccc(F)c12
Show InChI InChI=1S/C23H26FN3O/c1-25(2)20-13-27(21-14-28-22-10-6-8-18(24)23(21)22)12-17(20)16-11-26(3)19-9-5-4-7-15(16)19/h4-11,17,20-21H,12-14H2,1-3H3/t17-,20+,21+/m1/s1
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610n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223984
PNG
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C
Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1
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1.20E+3 -33.8n/an/an/an/an/a7.525



AbbVie Inc



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM50235633
PNG
(CHEMBL4100918)
Show SMILES CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1S/C22H27N3/c1-23(2)22-16-25(13-17-9-5-4-6-10-17)15-20(22)19-14-24(3)21-12-8-7-11-18(19)21/h4-12,14,20,22H,13,15-16H2,1-3H3/t20-,22+/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay


Bioorg Med Chem Lett 27: 1576-1583 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.030
BindingDB Entry DOI: 10.7270/Q22F7QQG
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223989
PNG
(A-395N (6))
Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/m0/s1
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1.83E+3 -32.7n/an/an/an/an/a7.525



AbbVie Inc



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM11642
PNG
((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
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KEGG

UniProtKB/SwissProt
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1.77E+4 -26.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Biochemistry 45: 7474-82 (2006)


Article DOI: 10.1021/bi060184f
BindingDB Entry DOI: 10.7270/Q2P26WCG
More data for this
Ligand-Target Pair
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