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Compile Data Set for Download or QSAR

Found 729 hits with Last Name = 'montgomery' and Initial = 'ji'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50255538
PNG
((4-(4-(3-chlorobenzyloxy)-3-methylbenzoyl)piperazi...)
Show SMILES Cc1cc(ccc1OCc1cccc(Cl)c1)C(=O)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C24H27ClN2O4/c1-17-14-19(7-8-21(17)31-16-18-4-2-5-20(25)15-18)23(28)26-9-11-27(12-10-26)24(29)22-6-3-13-30-22/h2,4-5,7-8,14-15,22H,3,6,9-13,16H2,1H3
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23.9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel


Bioorg Med Chem Lett 19: 665-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.054
BindingDB Entry DOI: 10.7270/Q28C9W3D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50255483
PNG
(4-(3-chloro-4-(3-chlorobenzyloxy)benzoyl)-1-methyl...)
Show SMILES CN1CCN(CC1=O)C(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N2O3/c1-22-7-8-23(11-18(22)24)19(25)14-5-6-17(16(21)10-14)26-12-13-3-2-4-15(20)9-13/h2-6,9-10H,7-8,11-12H2,1H3
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37.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel


Bioorg Med Chem Lett 19: 665-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.054
BindingDB Entry DOI: 10.7270/Q28C9W3D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50255768
PNG
(2-(4-chloro-5-(3-chlorobenzyloxy)pyridin-2-yl)-1,3...)
Show SMILES Clc1cccc(COc2cnc(cc2Cl)-c2nnco2)c1
Show InChI InChI=1S/C14H9Cl2N3O2/c15-10-3-1-2-9(4-10)7-20-13-6-17-12(5-11(13)16)14-19-18-8-21-14/h1-6,8H,7H2
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel


Bioorg Med Chem Lett 19: 665-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.054
BindingDB Entry DOI: 10.7270/Q28C9W3D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50255662
PNG
(3-chloro-4-(3-chlorobenzyloxy)-N-(4-hydroxybutyl)b...)
Show SMILES OCCCCNC(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO3/c19-15-5-3-4-13(10-15)12-24-17-7-6-14(11-16(17)20)18(23)21-8-1-2-9-22/h3-7,10-11,22H,1-2,8-9,12H2,(H,21,23)
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG channel


Bioorg Med Chem Lett 19: 665-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.054
BindingDB Entry DOI: 10.7270/Q28C9W3D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human norepinephrine transporter


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP12


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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7.73E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP14


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP7


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP15


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP16


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-20


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP20


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-24


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP24


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP25


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase 26


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP26


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TACE


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP1


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP3


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP10


J Med Chem 55: 914-23 (2012)


Article DOI: 10.1021/jm2014748
BindingDB Entry DOI: 10.7270/Q2VX0H0W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316711
PNG
(5-{2-[(1-acryloylpiperidin-4-yl)amino]-5H-pyrrolo[...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3cncc(c3)C#N)c2n1
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316739
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...)
Show SMILES FC1(F)CCCC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316515
PNG
(US9617258, Example 3)
Show SMILES Clc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316774
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(cyclopentyl...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC3CCCC3)c2n1
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316743
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(4,4,4-trifl...)
Show SMILES FC(F)(F)CCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316745
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-cyanoprop...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCCCC#N)c2n1
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316746
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3-fluorocyc...)
Show SMILES FC1CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |(-8.91,2.66,;-7.82,1.57,;-6.28,1.57,;-6.28,.03,;-7.82,.03,;-5.19,-1.06,;-3.7,-.66,;-3.3,.83,;-2.61,-1.75,;-2.77,-3.28,;-1.37,-3.91,;-.33,-2.76,;1.21,-2.76,;1.98,-1.43,;1.21,-.09,;1.98,1.24,;3.52,1.24,;4.29,-.09,;5.83,-.09,;6.6,1.24,;5.83,2.57,;4.29,2.57,;8.14,1.24,;8.91,-.09,;8.91,2.57,;8.14,3.91,;-.33,-.09,;-1.1,-1.43,)|
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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316840
PNG
(US9617258, Example 343)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1
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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316714
PNG
(1-{4-[(7-phenyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)amin...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3ccccc3)c2n1
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316773
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-butyl-5H-pyr...)
Show SMILES CCCCNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316736
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1R,2R)-2-(...)
Show SMILES FC(F)(F)[C@@H]1C[C@H]1NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |r|
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316740
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1R,2R)-2-f...)
Show SMILES F[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |r|
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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316673
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(propan-2-yl...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316513
PNG
(US9617258, Example 1)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ccnc2[nH]cc(C#N)c12 |r|
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316514
PNG
(US9617258, Example 2)
Show SMILES Clc1c[nH]c2nccc(N[C@@H]3CCCN(C3)C(=O)C=C)c12 |r|
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316530
PNG
(US9617258, Example 18)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]cc(Cl)c12 |r|
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316836
PNG
(US9617258, Example 339)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316776
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(2-methylpro...)
Show SMILES CC(C)CNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316778
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(2R)-pentan...)
Show SMILES CCC[C@@H](C)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |r|
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316782
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-cyclohexyl-5...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NC3CCCCC3)c2n1
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316784
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-cyclobutyl-5...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NC3CCC3)c2n1
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316786
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(2,2-difluor...)
Show SMILES CC(F)(F)CNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316792
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(1-cycloprop...)
Show SMILES CC(NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12)C1CC1
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316794
PNG
(2-{[(3R,4R)-1-acryloyl-3-fluoropiperidin-4-yl]amin...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@@H]3CCN(C[C@H]3F)C(=O)C=C)nc12 |r|
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316741
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(3,3-difluo...)
Show SMILES FC1(F)CC(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)C1
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316744
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(2R)-4,4,4-...)
Show SMILES C[C@@H](CNC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12)CC(F)(F)F |r|
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316747
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1S,3R)-3-f...)
Show SMILES F[C@@H]1CC[C@@H](C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12 |r|
PDB

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Pfizer Inc.

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US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316748
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...)
Show SMILES FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
PDB

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Pfizer Inc.

US Patent




US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
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