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Compile Data Set for Download or QSAR

Found 1052 hits with Last Name = 'andrews' and Initial = 'md'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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84n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50301772
PNG
((R)-6-(2-methylpiperazin-1-yl)-2-(2-(2-(trifluorom...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-13-12-22-8-9-24(13)16-6-7-17(26)25(23-16)10-11-27-15-5-3-2-4-14(15)18(19,20)21/h2-7,13,22H,8-12H2,1H3/t13-/m1/s1
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89n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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167n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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244n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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305n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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308n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302145
PNG
((R)-2-(2-(2-chlorophenoxy)ethyl)-6-(2-methylpipera...)
Show SMILES C[C@@H]1CNCCN1c1ccc(=O)n(CCOc2ccccc2Cl)n1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13-12-19-8-9-21(13)16-6-7-17(23)22(20-16)10-11-24-15-5-3-2-4-14(15)18/h2-7,13,19H,8-12H2,1H3/t13-/m1/s1
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325n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302160
PNG
(6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenox...)
Show SMILES FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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424n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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470n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302151
PNG
((S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazi...)
Show SMILES C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1 |r|
Show InChI InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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728n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50302141
PNG
(2-(2-(2-chlorophenoxy)ethyl)-6-(piperazin-1-yl)pyr...)
Show SMILES Clc1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
Show InChI InChI=1S/C16H19ClN4O2/c17-13-3-1-2-4-14(13)23-12-11-21-16(22)6-5-15(19-21)20-9-7-18-8-10-20/h1-6,18H,7-12H2
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA


Bioorg Med Chem Lett 19: 5791-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.136
BindingDB Entry DOI: 10.7270/Q2X0674Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50342545
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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1.85E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50089252
PNG
(CHEMBL3577889)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-8-21(13-18)26(31)32)25(30)24-14-20-6-2-3-7-22(20)15-28-24/h2-15,17H,16H2,1H3,(H,31,32)/t17-/s2
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>9.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50089251
PNG
(CHEMBL3576881)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cn2ccccc2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)28(14-17-5-4-6-19(13-17)24(30)31)23(29)21-15-27-12-3-2-7-22(27)26-21/h2-13,15-16H,14H2,1H3,(H,30,31)/t16-/s2
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>9.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50089248
PNG
(CHEMBL3577881)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)27(15-17-5-4-6-19(13-17)24(30)31)23(29)22-14-21-7-2-3-12-28(21)26-22/h2-14,16H,15H2,1H3,(H,30,31)/t16-/s2
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>9.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50301770
PNG
((R)-3-methyl-6-(2-methylpiperazin-1-yl)-2-((2-(tri...)
Show SMILES C[C@@H]1CNCCN1c1cc(=O)n(C)c(COc2ccccc2C(F)(F)F)n1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-12-10-22-7-8-25(12)15-9-17(26)24(2)16(23-15)11-27-14-6-4-3-5-13(14)18(19,20)21/h3-6,9,12,22H,7-8,10-11H2,1-2H3/t12-/m1/s1
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>1.30E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


Bioorg Med Chem Lett 19: 5346-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.133
BindingDB Entry DOI: 10.7270/Q2B56JT3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50089253
PNG
(CHEMBL3577900)
Show SMILES CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C27H23FN2O3/c1-2-25(19-10-12-23(28)13-11-19)30(17-18-6-5-8-21(14-18)27(32)33)26(31)22-15-20-7-3-4-9-24(20)29-16-22/h3-16,25H,2,17H2,1H3,(H,32,33)/t25-/s2
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>1.52E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50089245
PNG
(CHEMBL3577885)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/s2
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>1.59E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM30547
PNG
(US8846698, 583)
Show SMILES Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cc2ccc(Cl)cn2)c1
Show InChI InChI=1S/C24H20ClN7O2/c25-15-1-2-16(28-9-15)4-20(33)30-17-3-14(8-27-10-17)21(34)19-12-32(24-5-13(6-24)7-24)22-18(19)11-29-23(26)31-22/h1-3,8-13H,4-7H2,(H,30,33)(H2,26,29,31)
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n/an/a 0.681n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM30449
PNG
(US8846698, 580)
Show SMILES Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cn2ccc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C23H19F3N8O2/c24-23(25,26)17-1-2-33(32-17)11-18(35)30-14-3-13(7-28-8-14)19(36)16-10-34(22-4-12(5-22)6-22)20-15(16)9-29-21(27)31-20/h1-3,7-10,12H,4-6,11H2,(H,30,35)(H2,27,29,31)
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n/an/a 0.825n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM134792
PNG
(US8846698, 256)
Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(c3)C(F)(F)F)c2)c2cnc(N)nc12
Show InChI InChI=1S/C25H23F3N6O3/c1-24(2,13-35)34-12-19(18-11-31-23(29)33-22(18)34)21(37)15-8-17(10-30-9-15)32-20(36)7-14-4-3-5-16(6-14)25(26,27)28/h3-6,8-12,35H,7,13H2,1-2H3,(H,32,36)(H2,29,31,33)
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n/an/a 1.09n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135053
PNG
(US8846698, 538)
Show SMILES COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C3CC3)c2)c2cncnc12
Show InChI InChI=1S/C25H27N7O3/c1-25(2,14-35-3)32-12-20(19-11-27-15-28-24(19)32)23(34)17-8-18(10-26-9-17)29-22(33)13-31-7-6-21(30-31)16-4-5-16/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,33)
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n/an/a 1.51n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135100
PNG
(US8846698, 526)
Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Nc3cc(nn3-c3cnn(C)c3)C3CC3)c2)c2cncnc12
Show InChI InChI=1S/C26H26N10O2/c1-15(2)35-13-21(20-11-28-14-29-25(20)35)24(37)17-6-18(9-27-8-17)31-26(38)32-23-7-22(16-4-5-16)33-36(23)19-10-30-34(3)12-19/h6-16H,4-5H2,1-3H3,(H2,31,32,38)
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n/an/a 1.51n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135077
PNG
(US8846698, 564)
Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(NS(C)(=O)=O)cc3)c2)c2cnc(N)nc12
Show InChI InChI=1S/C25H27N7O5S/c1-25(2,14-33)32-13-20(19-12-28-24(26)30-23(19)32)22(35)16-9-18(11-27-10-16)29-21(34)8-15-4-6-17(7-5-15)31-38(3,36)37/h4-7,9-13,31,33H,8,14H2,1-3H3,(H,29,34)(H2,26,28,30)
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n/an/a 1.57n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135051
PNG
(US8846698, 536)
Show SMILES COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cncnc12
Show InChI InChI=1S/C24H23ClN6O3/c1-24(2,13-34-3)31-12-20(19-11-27-14-29-23(19)31)22(33)15-6-18(10-26-8-15)30-21(32)7-17-5-4-16(25)9-28-17/h4-6,8-12,14H,7,13H2,1-3H3,(H,30,32)
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n/an/a 1.57n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135089
PNG
(US8846698, 577)
Show SMILES CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(cn3)C3CC3)c2)c2cnc(N)nc12
Show InChI InChI=1S/C24H26N8O2/c1-24(2,3)32-12-19(18-10-27-23(25)30-22(18)32)21(34)15-6-17(9-26-7-15)29-20(33)13-31-11-16(8-28-31)14-4-5-14/h6-12,14H,4-5,13H2,1-3H3,(H,29,33)(H2,25,27,30)
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294264
PNG
(CHEMBL562244 | rac-3-((biphenyl-2-yloxy)(piperidin...)
Show SMILES C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H24N2O/c1-2-7-18(8-3-1)21-10-4-5-11-22(21)26-23(19-12-15-24-16-13-19)20-9-6-14-25-17-20/h1-11,14,17,19,23-24H,12-13,15-16H2
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135043
PNG
(US8846698, 528)
Show SMILES CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3nc4ccccc4[nH]3)c2)c2cnc(N)nc12
Show InChI InChI=1S/C25H24N8O2/c1-25(2,3)33-13-17(16-12-28-24(26)32-23(16)33)22(35)14-8-15(11-27-10-14)29-21(34)9-20-30-18-6-4-5-7-19(18)31-20/h4-8,10-13H,9H2,1-3H3,(H,29,34)(H,30,31)(H2,26,28,32)
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n/an/a 2.25n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135064
PNG
(US8846698, 551)
Show SMILES COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(cn3)C(F)(F)F)c2)c2cnc(N)nc12
Show InChI InChI=1S/C23H23F3N8O3/c1-22(2,12-37-3)34-10-17(16-8-29-21(27)32-20(16)34)19(36)13-4-15(7-28-5-13)31-18(35)11-33-9-14(6-30-33)23(24,25)26/h4-10H,11-12H2,1-3H3,(H,31,35)(H2,27,29,32)
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n/an/a 2.78n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM186567
PNG
(US9163021, 235)
Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(c3)C(F)(F)F)c2)c2cnccc12
Show InChI InChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-7-6-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-4-3-5-18(8-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35)
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n/an/a 2.87n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat#62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor sou...


US Patent US9163021 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W7C
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM186437
PNG
(US9163021, 95)
Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C(F)(F)F)c2)c2cncc(F)c12
Show InChI InChI=1S/C23H20F4N6O3/c1-22(2,12-34)33-10-16(15-8-29-9-17(24)20(15)33)21(36)13-5-14(7-28-6-13)30-19(35)11-32-4-3-18(31-32)23(25,26)27/h3-10,34H,11-12H2,1-2H3,(H,30,35)
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n/an/a 2.92n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat#62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor sou...


US Patent US9163021 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W7C
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135083
PNG
(US8846698, 571)
Show SMILES CC1(COC1)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C(F)(F)F)c2)c2cncnc12
Show InChI InChI=1S/C25H20F3N5O3/c1-24(12-36-13-24)33-11-20(19-10-30-14-31-23(19)33)22(35)16-7-18(9-29-8-16)32-21(34)6-15-2-4-17(5-3-15)25(26,27)28/h2-5,7-11,14H,6,12-13H2,1H3,(H,32,34)
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n/an/a 2.92n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135058
PNG
(US8846698, 545)
Show SMILES CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc12
Show InChI InChI=1S/C24H22ClN5O2/c1-24(2,3)30-13-20(19-12-27-14-28-23(19)30)22(32)16-9-18(11-26-10-16)29-21(31)8-15-4-6-17(25)7-5-15/h4-7,9-14H,8H2,1-3H3,(H,29,31)
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n/an/a 2.95n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294272
PNG
(CHEMBL563987 | rac-3-((2,3-difluorophenoxy)(piperi...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2cccnc2)c1F
Show InChI InChI=1S/C17H18F2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294266
PNG
(CHEMBL550696 | rac-3-((3-chlorophenoxy)(piperidin-...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1
Show InChI InChI=1S/C17H19ClN2O/c18-15-4-1-5-16(11-15)21-17(13-6-9-19-10-7-13)14-3-2-8-20-12-14/h1-5,8,11-13,17,19H,6-7,9-10H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294287
PNG
(3-((2,3-dichlorophenoxy)((S)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294287
PNG
(3-((2,3-dichlorophenoxy)((S)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294273
PNG
(CHEMBL562854 | rac-3-((2,3-dimethylphenoxy)(piperi...)
Show SMILES Cc1cccc(OC(C2CCNCC2)c2cccnc2)c1C
Show InChI InChI=1S/C19H24N2O/c1-14-5-3-7-18(15(14)2)22-19(16-8-11-20-12-9-16)17-6-4-10-21-13-17/h3-7,10,13,16,19-20H,8-9,11-12H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM134750
PNG
(US8846698, 213 | US8846698, 215)
Show SMILES CC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(c3)C(F)(F)F)c2)c2cnc(N)nc12
Show InChI InChI=1/C24H21F3N6O3/c1-13(12-34)33-11-19(18-10-30-23(28)32-22(18)33)21(36)15-7-17(9-29-8-15)31-20(35)6-14-3-2-4-16(5-14)24(25,26)27/h2-5,7-11,13,34H,6,12H2,1H3,(H,31,35)(H2,28,30,32)
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n/an/a 3.03n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135087
PNG
(US8846698, 575)
Show SMILES CC1(COC1)n1cc(C(=O)c2cncc(NC(=O)c3cccc(OC(F)(F)F)c3)c2)c2cncnc12
Show InChI InChI=1S/C24H18F3N5O4/c1-23(11-35-12-23)32-10-19(18-9-29-13-30-21(18)32)20(33)15-5-16(8-28-7-15)31-22(34)14-3-2-4-17(6-14)36-24(25,26)27/h2-10,13H,11-12H2,1H3,(H,31,34)
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n/an/a 3.09n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM186376
PNG
(US9163021, 33)
Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C(F)(F)F)c2)c2cnccc12
Show InChI InChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-8-7-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-3-5-18(6-4-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35)
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n/an/a 3.11n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat#62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor sou...


US Patent US9163021 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W7C
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135076
PNG
(US8846698, 563)
Show SMILES CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(cn3)C(F)(F)F)c2)c2cnc(N)nc12
Show InChI InChI=1S/C22H21F3N8O3/c1-21(2,11-34)33-9-16(15-7-28-20(26)31-19(15)33)18(36)12-3-14(6-27-4-12)30-17(35)10-32-8-13(5-29-32)22(23,24)25/h3-9,34H,10-11H2,1-2H3,(H,30,35)(H2,26,28,31)
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n/an/a 3.11n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135069
PNG
(US8846698, 556)
Show SMILES Cc1ccc(CC(=O)Nc2cncc(c2)C(=O)c2cn(c3nc(N)ncc23)C(C)(C)CO)nc1
Show InChI InChI=1S/C24H25N7O3/c1-14-4-5-16(27-8-14)7-20(33)29-17-6-15(9-26-10-17)21(34)19-12-31(24(2,3)13-32)22-18(19)11-28-23(25)30-22/h4-6,8-12,32H,7,13H2,1-3H3,(H,29,33)(H2,25,28,30)
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n/an/a 3.16n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM30532
PNG
(US8846698, 581)
Show SMILES Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cn2cc(nn2)C(F)(F)F)c1
Show InChI InChI=1S/C22H18F3N9O2/c23-22(24,25)16-9-33(32-31-16)10-17(35)29-13-1-12(5-27-6-13)18(36)15-8-34(21-2-11(3-21)4-21)19-14(15)7-28-20(26)30-19/h1,5-9,11H,2-4,10H2,(H,29,35)(H2,26,28,30)
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n/an/a 3.21n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM135062
PNG
(US8846698, 549)
Show SMILES COCC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(n3)C(F)(F)F)c2)c2cnc(N)nc12
Show InChI InChI=1S/C23H23F3N8O3/c1-22(2,12-37-3)34-10-16(15-9-29-21(27)31-20(15)34)19(36)13-6-14(8-28-7-13)30-18(35)11-33-5-4-17(32-33)23(24,25)26/h4-10H,11-12H2,1-3H3,(H,30,35)(H2,27,29,31)
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n/an/a 3.22n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM134787
PNG
(US8846698, 250)
Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12
Show InChI InChI=1S/C23H21ClN6O2/c1-13(2)30-12-19(18-11-27-23(25)29-22(18)30)21(32)15-8-17(10-26-9-15)28-20(31)7-14-3-5-16(24)6-4-14/h3-6,8-13H,7H2,1-2H3,(H,28,31)(H2,25,27,29)
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n/an/a 3.48n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM134603
PNG
(US8846698, 66)
Show SMILES CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(c3)C(F)(F)F)c2)c2cncnc12
Show InChI InChI=1S/C24H20F3N5O2/c1-14(2)32-12-20(19-11-29-13-30-23(19)32)22(34)16-8-18(10-28-9-16)31-21(33)7-15-4-3-5-17(6-15)24(25,26)27/h3-6,8-14H,7H2,1-2H3,(H,31,33)
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n/an/a 3.55n/an/an/an/an/an/a



Pfizer Limited

US Patent


Assay Description
Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor so...


US Patent US8846698 (2014)


BindingDB Entry DOI: 10.7270/Q2F47MTW
More data for this
Ligand-Target Pair
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