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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50028192   
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
Thrombopoietin receptor


(Homo sapiens)
BDBM50247935
PNG
((R)-2-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)...)
Show SMILES C[C@@H](Nc1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C19H13ClF4N4O3S/c1-8(17(30)31)26-15-12(20)5-9(6-25-15)16(29)28-18-27-13(7-32-18)10-3-2-4-11(14(10)21)19(22,23)24/h2-8H,1H3,(H,25,26)(H,30,31)(H,27,28,29)/t8-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248582
PNG
((4R)-1-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl...)
Show SMILES C[C@H]1CN(CC1C(O)=O)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H17ClF4N4O3S/c1-10-7-31(8-13(10)20(33)34)18-15(23)5-11(6-28-18)19(32)30-21-29-16(9-35-21)12-3-2-4-14(17(12)24)22(25,26)27/h2-6,9-10,13H,7-8H2,1H3,(H,33,34)(H,29,30,32)/t10-,13?/m0/s1
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n/an/an/an/a 43n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50247937
PNG
(1-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phen...)
Show SMILES OC(=O)C1CCCN(C1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H17ClF4N4O3S/c23-15-7-12(8-28-18(15)31-6-2-3-11(9-31)20(33)34)19(32)30-21-29-16(10-35-21)13-4-1-5-14(17(13)24)22(25,26)27/h1,4-5,7-8,10-11H,2-3,6,9H2,(H,33,34)(H,29,30,32)
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n/an/an/an/a 294n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50247938
PNG
(1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazo...)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O3S/c23-18-14(2-1-3-15(18)22(24,25)26)16-11-34-21(28-16)29-19(31)13-4-5-17(27-10-13)30-8-6-12(7-9-30)20(32)33/h1-5,10-12H,6-9H2,(H,32,33)(H,28,29,31)
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n/an/an/an/a 430n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50247965
PNG
(6-(4-(2H-tetrazol-5-yl)piperidin-1-yl)-5-chloro-N-...)
Show SMILES Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2cnc(N3CCC(CC3)c3nnn[nH]3)c(Cl)c2)n1
Show InChI InChI=1S/C22H17ClF4N8OS/c23-15-8-12(9-28-19(15)35-6-4-11(5-7-35)18-31-33-34-32-18)20(36)30-21-29-16(10-37-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H,29,30,36)(H,31,32,33,34)
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n/an/an/an/a 485n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248022
PNG
(5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)...)
Show SMILES Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2cnc(N3CCCCC3)c(Cl)c2)n1
Show InChI InChI=1S/C21H17ClF4N4OS/c22-15-9-12(10-27-18(15)30-7-2-1-3-8-30)19(31)29-20-28-16(11-32-20)13-5-4-6-14(17(13)23)21(24,25)26/h4-6,9-11H,1-3,7-8H2,(H,28,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248023
PNG
(1-(2,6-dichloro-4-(4-(2-fluoro-3-(trifluoromethyl)...)
Show SMILES OC(=O)C1CCN(CC1)c1c(Cl)cc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H17Cl2F4N3O3S/c24-15-8-12(9-16(25)19(15)32-6-4-11(5-7-32)21(34)35)20(33)31-22-30-17(10-36-22)13-2-1-3-14(18(13)26)23(27,28)29/h1-3,8-11H,4-7H2,(H,34,35)(H,30,31,33)
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n/an/an/an/a 10n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248024
PNG
(1-(3-bromo-5-(4-(2-fluoro-3-(trifluoromethyl)pheny...)
Show SMILES OC(=O)C1CCN(CC1)c1ncc(cc1Br)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H17BrF4N4O3S/c23-15-8-12(9-28-18(15)31-6-4-11(5-7-31)20(33)34)19(32)30-21-29-16(10-35-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H,33,34)(H,29,30,32)
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n/an/an/an/a 50n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248025
PNG
(1-(2-chloro-4-(4-(2-fluoro-3-(trifluoromethyl)phen...)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H18ClF4N3O3S/c24-16-10-13(4-5-18(16)31-8-6-12(7-9-31)21(33)34)20(32)30-22-29-17(11-35-22)14-2-1-3-15(19(14)25)23(26,27)28/h1-5,10-12H,6-9H2,(H,33,34)(H,29,30,32)
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n/an/an/an/a 56n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248068
PNG
(1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazo...)
Show SMILES OC(=O)C1CCN(CC1)c1ncc(cc1C(F)(F)F)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H17F7N4O3S/c24-17-13(2-1-3-14(17)22(25,26)27)16-10-38-21(32-16)33-19(35)12-8-15(23(28,29)30)18(31-9-12)34-6-4-11(5-7-34)20(36)37/h1-3,8-11H,4-7H2,(H,36,37)(H,32,33,35)
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n/an/an/an/a 134n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248069
PNG
(1-(3-cyano-5-(4-(2-fluoro-3-(trifluoromethyl)pheny...)
Show SMILES OC(=O)C1CCN(CC1)c1ncc(cc1C#N)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H17F4N5O3S/c24-18-15(2-1-3-16(18)23(25,26)27)17-11-36-22(30-17)31-20(33)14-8-13(9-28)19(29-10-14)32-6-4-12(5-7-32)21(34)35/h1-3,8,10-12H,4-7H2,(H,34,35)(H,30,31,33)
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n/an/an/an/a 138n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248070
PNG
(1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazo...)
Show SMILES Cc1cc(cnc1N1CCC(CC1)C(O)=O)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O3S/c1-12-9-14(10-28-19(12)31-7-5-13(6-8-31)21(33)34)20(32)30-22-29-17(11-35-22)15-3-2-4-16(18(15)24)23(25,26)27/h2-4,9-11,13H,5-8H2,1H3,(H,33,34)(H,29,30,32)
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n/an/an/an/a 253n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248071
PNG
(1-(3-fluoro-5-(4-(2-fluoro-3-(trifluoromethyl)phen...)
Show SMILES OC(=O)C1CCN(CC1)c1ncc(cc1F)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H17F5N4O3S/c23-15-8-12(9-28-18(15)31-6-4-11(5-7-31)20(33)34)19(32)30-21-29-16(10-35-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H,33,34)(H,29,30,32)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248105
PNG
(1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazo...)
Show SMILES COc1cc(cnc1N1CCC(CC1)C(O)=O)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C23H20F4N4O4S/c1-35-17-9-13(10-28-19(17)31-7-5-12(6-8-31)21(33)34)20(32)30-22-29-16(11-36-22)14-3-2-4-15(18(14)24)23(25,26)27/h2-4,9-12H,5-8H2,1H3,(H,33,34)(H,29,30,32)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219622
PNG
(CHEMBL429295 | N-(4-(2-fluoro-3-(trifluoromethoxy)...)
Show SMILES OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(OC(F)(F)F)c2F)ncn1
Show InChI InChI=1S/C24H18F4N6O3S/c25-21-16(2-1-3-18(21)37-24(26,27)28)17-11-38-23(32-17)33-22(36)13-4-6-14(7-5-13)31-19-8-20(30-12-29-19)34-9-15(35)10-34/h1-8,11-12,15,35H,9-10H2,(H,29,30,31)(H,32,33,36)
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n/an/an/an/a 7n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248531
PNG
(1-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phen...)
Show SMILES OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H17ClF4N4O3S/c23-15-8-12(9-28-18(15)31-6-4-11(5-7-31)20(33)34)19(32)30-21-29-16(10-35-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H,33,34)(H,29,30,32)
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n/an/an/an/a 33n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248579
PNG
(1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazo...)
Show SMILES OC(=O)C1CCN(C1)c1ccc(cn1)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O3S/c22-17-13(2-1-3-14(17)21(23,24)25)15-10-33-20(27-15)28-18(30)11-4-5-16(26-8-11)29-7-6-12(9-29)19(31)32/h1-5,8,10,12H,6-7,9H2,(H,31,32)(H,27,28,30)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248580
PNG
(6-(4-carbamoylpiperidin-1-yl)-5-chloro-N-(4-(2-flu...)
Show SMILES NC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H18ClF4N5O2S/c23-15-8-12(9-29-19(15)32-6-4-11(5-7-32)18(28)33)20(34)31-21-30-16(10-35-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H2,28,33)(H,30,31,34)
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n/an/an/an/a 28n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50248581
PNG
(5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)...)
Show SMILES NS(=O)(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C21H18ClF4N5O3S2/c22-15-8-11(9-28-18(15)31-6-4-12(5-7-31)36(27,33)34)19(32)30-20-29-16(10-35-20)13-2-1-3-14(17(13)23)21(24,25)26/h1-3,8-10,12H,4-7H2,(H2,27,33,34)(H,29,30,32)
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n/an/an/an/a 34n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50247936
PNG
(4-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phen...)
Show SMILES OC(=O)C1CN(CCN1)c1ncc(cc1Cl)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C21H16ClF4N5O3S/c22-13-6-10(7-28-17(13)31-5-4-27-14(8-31)19(33)34)18(32)30-20-29-15(9-35-20)11-2-1-3-12(16(11)23)21(24,25)26/h1-3,6-7,9,14,27H,4-5,8H2,(H,33,34)(H,29,30,32)
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n/an/an/an/a 129n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dar...


Bioorg Med Chem Lett 19: 1428-30 (2009)

More data for this
Ligand-Target Pair