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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'richardson' and Initial = 'pl'   
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))
BDBM50235631
PNG
(CHEMBL4060827)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r|
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


(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 |r|
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


(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 |r|
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


(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 |r|
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


(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 |r|
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
Polycomb protein 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 |r|
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217112
PNG
(US9302989, 407)
Show SMILES O=C(Nc1ccc(cc1)C1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H27N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-13,21H,14-19H2,(H,28,32)
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1n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254198
PNG
(CHEMBL4060799)
Show SMILES CN1CCN(CC1)C(C)(C)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C29H39N5O2/c1-29(2,34-18-16-31(3)17-19-34)27(35)32-14-12-23(13-15-32)22-8-10-26(11-9-22)30-28(36)33-20-24-6-4-5-7-25(24)21-33/h4-11,23H,12-21H2,1-3H3,(H,30,36)
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1.5n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217057
PNG
(US9302989, 349)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C25H31N3O2/c29-24(21-9-2-1-3-10-21)27-16-13-20(14-17-27)8-6-7-15-26-25(30)28-18-22-11-4-5-12-23(22)19-28/h1-5,9-12,20H,6-8,13-19H2,(H,26,30)
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1.60n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254199
PNG
(CHEMBL4083505)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CCN(CC1)C(=O)[C@@H]1CCCO1 |r|
Show InChI InChI=1S/C25H28ClN3O3/c26-21-6-3-19-15-29(16-20(19)14-21)25(31)27-22-7-4-17(5-8-22)18-9-11-28(12-10-18)24(30)23-2-1-13-32-23/h3-8,14,18,23H,1-2,9-13,15-16H2,(H,27,31)/t23-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254216
PNG
(CHEMBL4096471)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H22FN3O2/c26-22-9-6-19-13-29(14-20(19)12-22)25(31)27-23-10-7-17(8-11-23)21-15-28(16-21)24(30)18-4-2-1-3-5-18/h1-12,21H,13-16H2,(H,27,31)
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1.90n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r|
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254215
PNG
(CHEMBL4089003)
Show SMILES CC(C)(O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C25H30FN3O3/c1-25(2,32)14-23(30)28-11-9-18(10-12-28)17-4-7-22(8-5-17)27-24(31)29-15-19-3-6-21(26)13-20(19)16-29/h3-8,13,18,32H,9-12,14-16H2,1-2H3,(H,27,31)
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2.5n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r|
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


(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 |r|
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)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50435350
PNG
(CHEMBL17289)
Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
Show InChI InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
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3n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM81395
PNG
(APO-866)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
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3n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217040
PNG
(US9302989, 332)
Show SMILES O=C(Nc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1 |t:10|
Show InChI InChI=1S/C27H25N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-14H,15-19H2,(H,28,32)
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3n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254212
PNG
(CHEMBL4076064)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CCN(CC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C23H26FN3O3S/c24-20-4-1-18-14-26(15-19(18)13-20)23(28)25-21-5-2-16(3-6-21)17-9-11-27(12-10-17)31(29,30)22-7-8-22/h1-6,13,17,22H,7-12,14-15H2,(H,25,28)
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3.90n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254192
PNG
(CHEMBL4105475)
Show SMILES CC1(CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C25H29N3O2/c1-25(12-13-25)23(29)27-14-10-19(11-15-27)18-6-8-22(9-7-18)26-24(30)28-16-20-4-2-3-5-21(20)17-28/h2-9,19H,10-17H2,1H3,(H,26,30)
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4.30n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r,t:26|
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215830
PNG
(US9302989, 25)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1
Show InChI InChI=1S/C22H24N4O2/c1-15(2)9-10-24-21(27)17-5-7-20(8-6-17)25-22(28)26-13-18-4-3-16(12-23)11-19(18)14-26/h3-8,11,15H,9-10,13-14H2,1-2H3,(H,24,27)(H,25,28)
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4.70n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217170
PNG
(US9302989, 608)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1
Show InChI InChI=1S/C22H27N3O3/c1-15(2)9-10-23-21(27)17-5-7-20(8-6-17)24-22(28)25-12-18-4-3-16(14-26)11-19(18)13-25/h3-8,11,15,26H,9-10,12-14H2,1-2H3,(H,23,27)(H,24,28)
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4.90n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254214
PNG
(CHEMBL4086819)
Show SMILES CC1(COC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C25H29N3O3/c1-25(16-31-17-25)23(29)27-12-10-19(11-13-27)18-6-8-22(9-7-18)26-24(30)28-14-20-4-2-3-5-21(20)15-28/h2-9,19H,10-17H2,1H3,(H,26,30)
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5.10n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r|
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217078
PNG
(US9302989, 370)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1
Show InChI InChI=1S/C20H24N4O2/c1-14(2)9-10-21-19(25)15-7-8-18(22-11-15)23-20(26)24-12-16-5-3-4-6-17(16)13-24/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,25)(H,22,23,26)
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5.40n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254184
PNG
(CHEMBL4082366)
Show SMILES CC(C)(O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C25H31N3O3/c1-25(2,31)15-23(29)27-13-11-19(12-14-27)18-7-9-22(10-8-18)26-24(30)28-16-20-5-3-4-6-21(20)17-28/h3-10,19,31H,11-17H2,1-2H3,(H,26,30)
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5.60n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216345
PNG
(US9302989, 290)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-14(2)7-10-22-19(25)15-3-5-18(6-4-15)23-20(26)24-12-16-8-9-21-11-17(16)13-24/h3-6,8-9,11,14H,7,10,12-13H2,1-2H3,(H,22,25)(H,23,26)
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7.5n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215825
PNG
(US9302989, 20)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C21H24FN3O2/c1-14(2)9-10-23-20(26)15-4-7-19(8-5-15)24-21(27)25-12-16-3-6-18(22)11-17(16)13-25/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)(H,24,27)
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7.90n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215806
PNG
(US9302989, 1)
Show SMILES O=C(Nc1ccc(cc1)C(=O)NCCCc1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C25H25N3O2/c29-24(26-16-6-9-19-7-2-1-3-8-19)20-12-14-23(15-13-20)27-25(30)28-17-21-10-4-5-11-22(21)18-28/h1-5,7-8,10-15H,6,9,16-18H2,(H,26,29)(H,27,30)
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9n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254197
PNG
(CHEMBL4077485)
Show SMILES CN1CCC(CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1
Show InChI InChI=1S/C27H33FN4O2/c1-30-12-8-21(9-13-30)26(33)31-14-10-20(11-15-31)19-3-6-25(7-4-19)29-27(34)32-17-22-2-5-24(28)16-23(22)18-32/h2-7,16,20-21H,8-15,17-18H2,1H3,(H,29,34)
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9.40n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
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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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)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215841
PNG
(US9302989, 36)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C21H25N3O2/c1-15(2)11-12-22-20(25)16-7-9-19(10-8-16)23-21(26)24-13-17-5-3-4-6-18(17)14-24/h3-10,15H,11-14H2,1-2H3,(H,22,25)(H,23,26)
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11n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r|
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


(Homo sapiens (Human))
BDBM50235626
PNG
(CHEMBL4075197)
Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2ccccc12 |r|
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)
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216082
PNG
(US9302989, 420)
Show SMILES O=C(Nc1ccc(cc1)C(=O)NCC1CCCOC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O3/c26-21(23-12-16-4-3-11-28-15-16)17-7-9-20(10-8-17)24-22(27)25-13-18-5-1-2-6-19(18)14-25/h1-2,5-10,16H,3-4,11-15H2,(H,23,26)(H,24,27)
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13n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215848
PNG
(US9302989, 43)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(C)cc3C2)cc1
Show InChI InChI=1S/C22H27N3O2/c1-15(2)10-11-23-21(26)17-6-8-20(9-7-17)24-22(27)25-13-18-5-4-16(3)12-19(18)14-25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,26)(H,24,27)
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13n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215857
PNG
(US9302989, 53)
Show SMILES CC(C)(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C22H27N3O2/c1-22(2,3)12-13-23-20(26)16-8-10-19(11-9-16)24-21(27)25-14-17-6-4-5-7-18(17)15-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
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14n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254187
PNG
(CHEMBL4062838)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccn1)N1Cc2ccccc2C1
Show InChI InChI=1S/C25H25N5O2/c31-24(29-15-13-28(14-16-29)23-7-3-4-12-26-23)19-8-10-22(11-9-19)27-25(32)30-17-20-5-1-2-6-21(20)18-30/h1-12H,13-18H2,(H,27,32)
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14n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217111
PNG
(US9302989, 406)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-17(2)23(28)26-13-11-19(12-14-26)18-7-9-22(10-8-18)25-24(29)27-15-20-5-3-4-6-21(20)16-27/h3-10,17,19H,11-16H2,1-2H3,(H,25,29)
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15n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215863
PNG
(US9302989, 59)
Show SMILES COc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C(=O)NCCC(C)C
Show InChI InChI=1S/C22H27N3O3/c1-15(2)10-11-23-21(26)16-4-7-19(8-5-16)24-22(27)25-13-17-6-9-20(28-3)12-18(17)14-25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,26)(H,24,27)
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16n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215871
PNG
(US9302989, 67)
Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3cccc(Cl)c3C2)cc1
Show InChI InChI=1S/C21H24ClN3O2/c1-14(2)10-11-23-20(26)15-6-8-17(9-7-15)24-21(27)25-12-16-4-3-5-19(22)18(16)13-25/h3-9,14H,10-13H2,1-2H3,(H,23,26)(H,24,27)
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17n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216948
PNG
(US9302989, 1028)
Show SMILES CCC(C)C(=O)N1CCC(CC1)Oc1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C25H31N3O3/c1-3-18(2)24(29)27-14-12-23(13-15-27)31-22-10-8-21(9-11-22)26-25(30)28-16-19-6-4-5-7-20(19)17-28/h4-11,18,23H,3,12-17H2,1-2H3,(H,26,30)
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18n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r|
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216052
PNG
(US9302989, 252)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C22H27N3O3/c1-15(2)11-20(14-26)23-21(27)16-7-9-19(10-8-16)24-22(28)25-12-17-5-3-4-6-18(17)13-25/h3-10,15,20,26H,11-14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1
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19n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM215877
PNG
(US9302989, 73)
Show SMILES O=C(Nc1ccc(cc1)C(=O)NCc1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H21N3O2/c27-22(24-14-17-6-2-1-3-7-17)18-10-12-21(13-11-18)25-23(28)26-15-19-8-4-5-9-20(19)16-26/h1-13H,14-16H2,(H,24,27)(H,25,28)
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19n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217044
PNG
(US9302989, 336)
Show SMILES O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C26H26N4O2/c31-25(20-6-2-1-3-7-20)29-16-14-28(15-17-29)24-12-10-23(11-13-24)27-26(32)30-18-21-8-4-5-9-22(21)19-30/h1-13H,14-19H2,(H,27,32)
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19n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50254213
PNG
(CHEMBL4076641)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C21H18N2O3S/c24-21(23-14-16-6-4-5-7-17(16)15-23)22-18-10-12-20(13-11-18)27(25,26)19-8-2-1-3-9-19/h1-13H,14-15H2,(H,22,24)
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21n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
Polycomb protein 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 |r|
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
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217027
PNG
(US9302989, 319)
Show SMILES CC(C)CCn1cc(cn1)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C23H26N4O/c1-17(2)11-12-27-16-21(13-24-27)18-7-9-22(10-8-18)25-23(28)26-14-19-5-3-4-6-20(19)15-26/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,25,28)
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23n/an/an/an/an/an/an/an/a



AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...


Bioorg Med Chem Lett 27: 3317-3325 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.018
BindingDB Entry DOI: 10.7270/Q2D22123
More data for this
Ligand-Target Pair
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