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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'lu' and Initial = 'hj'   
Target
(Institution)
LigandTarget
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)
BDBM50325419
PNG
(4-(2-(1-(1-(3,4-dimethylphenyl)-2-oxoindolin-3-yli...)
Show SMILES CC(=NNC(=S)c1ccc(cc1)C(O)=O)C1C(=O)N(c2ccccc12)c1ccc(C)c(C)c1
Show InChI InChI=1S/C26H23N3O3S/c1-15-8-13-20(14-16(15)2)29-22-7-5-4-6-21(22)23(25(29)30)17(3)27-28-24(33)18-9-11-19(12-10-18)26(31)32/h4-14,23H,1-3H3,(H,28,33)(H,31,32)
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n/an/an/an/a 82n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TPO receptor expressed in mouse BaF3 cells after 24 hrs


Bioorg Med Chem Lett 20: 5062-4 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50325420
PNG
(4-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-2-oxoindoli...)
Show SMILES CC(=NNC(=S)c1ccc(cc1)C(O)=O)C1C(=O)N(c2ccccc12)c1ccc2CCCc2c1
Show InChI InChI=1S/C27H23N3O3S/c1-16(28-29-25(34)18-9-11-19(12-10-18)27(32)33)24-22-7-2-3-8-23(22)30(26(24)31)21-14-13-17-5-4-6-20(17)15-21/h2-3,7-15,24H,4-6H2,1H3,(H,29,34)(H,32,33)
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n/an/an/an/a>200n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TPO receptor expressed in mouse BaF3 cells after 24 hrs


Bioorg Med Chem Lett 20: 5062-4 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50325421
PNG
(4-(2-(1-(5-fluoro-2-oxo-1-p-tolylindolin-3-ylidene...)
Show SMILES CC(=NNC(=S)c1ccc(cc1)C(O)=O)C1C(=O)N(c2ccc(F)cc12)c1ccc(C)cc1
Show InChI InChI=1S/C25H20FN3O3S/c1-14-3-10-19(11-4-14)29-21-12-9-18(26)13-20(21)22(24(29)30)15(2)27-28-23(33)16-5-7-17(8-6-16)25(31)32/h3-13,22H,1-2H3,(H,28,33)(H,31,32)
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n/an/an/an/a 44n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TPO receptor expressed in mouse BaF3 cells after 24 hrs


Bioorg Med Chem Lett 20: 5062-4 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50325422
PNG
(4-(2-(1-(1-(3,4-dimethylphenyl)-5-fluoro-2-oxoindo...)
Show SMILES CC(=NNC(=S)c1ccc(cc1)C(O)=O)C1C(=O)N(c2ccc(F)cc12)c1ccc(C)c(C)c1
Show InChI InChI=1S/C26H22FN3O3S/c1-14-4-10-20(12-15(14)2)30-22-11-9-19(27)13-21(22)23(25(30)31)16(3)28-29-24(34)17-5-7-18(8-6-17)26(32)33/h4-13,23H,1-3H3,(H,29,34)(H,32,33)
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n/an/an/an/a 103n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TPO receptor expressed in mouse BaF3 cells after 24 hrs


Bioorg Med Chem Lett 20: 5062-4 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50325423
PNG
(4-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-...)
Show SMILES CC(=NNC(=S)c1ccc(cc1)C(O)=O)C1C(=O)N(c2ccc(F)cc12)c1ccc2CCCc2c1
Show InChI InChI=1S/C27H22FN3O3S/c1-15(29-30-25(35)17-5-7-18(8-6-17)27(33)34)24-22-14-20(28)10-12-23(22)31(26(24)32)21-11-9-16-3-2-4-19(16)13-21/h5-14,24H,2-4H2,1H3,(H,30,35)(H,33,34)
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n/an/an/an/a>200n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TPO receptor expressed in mouse BaF3 cells after 24 hrs


Bioorg Med Chem Lett 20: 5062-4 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327451
PNG
(1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-...)
Show SMILES CC(=NNC(=S)N1CCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C24H25N5O3S/c1-13-5-7-19(11-14(13)2)29-22(30)21(16(4)27-29)15(3)25-26-24(33)28-10-9-17-12-18(23(31)32)6-8-20(17)28/h5-8,11-12,27H,9-10H2,1-4H3,(H,26,33)(H,31,32)
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n/an/an/an/a 6n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327459
PNG
(1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-...)
Show SMILES CC(=NN=C(O)N1CCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc3CCCc3c2)c1=O
Show InChI InChI=1S/C25H25N5O4/c1-14(26-27-25(34)29-11-10-18-12-19(24(32)33)7-9-21(18)29)22-15(2)28-30(23(22)31)20-8-6-16-4-3-5-17(16)13-20/h6-9,12-13,28H,3-5,10-11H2,1-2H3,(H,27,34)(H,32,33)
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n/an/an/an/a 46n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327453
PNG
(1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-...)
Show SMILES CC(=NNC(=S)N1CCCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C25H27N5O3S/c1-14-7-9-20(12-15(14)2)30-23(31)22(17(4)28-30)16(3)26-27-25(34)29-11-5-6-18-13-19(24(32)33)8-10-21(18)29/h7-10,12-13,28H,5-6,11H2,1-4H3,(H,27,34)(H,32,33)
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n/an/an/an/a 64n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327454
PNG
(1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-...)
Show SMILES CC(=NNC(=S)N1CCCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc3CCCc3c2)c1=O
Show InChI InChI=1S/C26H27N5O3S/c1-15(23-16(2)29-31(24(23)32)21-10-8-17-5-3-6-18(17)14-21)27-28-26(35)30-12-4-7-19-13-20(25(33)34)9-11-22(19)30/h8-11,13-14,29H,3-7,12H2,1-2H3,(H,28,35)(H,33,34)
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n/an/an/an/a 35n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327455
PNG
(1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-...)
Show SMILES CNC(=O)c1ccc2N(CCc2c1)C(=S)NN=C(C)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C25H28N6O2S/c1-14-6-8-20(12-15(14)2)31-24(33)22(17(4)29-31)16(3)27-28-25(34)30-11-10-18-13-19(23(32)26-5)7-9-21(18)30/h6-9,12-13,29H,10-11H2,1-5H3,(H,26,32)(H,28,34)
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n/an/an/an/a 22n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327456
PNG
(CHEMBL1257847 | N'-(1-(1-(3,4-dimethylphenyl)-3-me...)
Show SMILES CC(=NNC(=S)N1CCc2cc(ccc12)C(=O)N1CCOCC1)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C28H32N6O3S/c1-17-5-7-23(15-18(17)2)34-27(36)25(20(4)31-34)19(3)29-30-28(38)33-10-9-21-16-22(6-8-24(21)33)26(35)32-11-13-37-14-12-32/h5-8,15-16,31H,9-14H2,1-4H3,(H,30,38)
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n/an/an/an/a 31n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327457
PNG
(1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-...)
Show SMILES CCNC(=O)c1ccc2N(CCc2c1)C(=S)NN=C(C)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C26H30N6O2S/c1-6-27-24(33)20-8-10-22-19(14-20)11-12-31(22)26(35)29-28-17(4)23-18(5)30-32(25(23)34)21-9-7-15(2)16(3)13-21/h7-10,13-14,30H,6,11-12H2,1-5H3,(H,27,33)(H,29,35)
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n/an/an/an/a 26n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327458
PNG
(1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-...)
Show SMILES CC(=NN=C(O)N1CCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C24H25N5O4/c1-13-5-7-19(11-14(13)2)29-22(30)21(16(4)27-29)15(3)25-26-24(33)28-10-9-17-12-18(23(31)32)6-8-20(17)28/h5-8,11-12,27H,9-10H2,1-4H3,(H,26,33)(H,31,32)
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n/an/an/an/a 42n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50327452
PNG
(1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-...)
Show SMILES CC(=NNC(=S)N1CCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc3CCCc3c2)c1=O
Show InChI InChI=1S/C25H25N5O3S/c1-14(26-27-25(34)29-11-10-18-12-19(24(32)33)7-9-21(18)29)22-15(2)28-30(23(22)31)20-8-6-16-4-3-5-17(16)13-20/h6-9,12-13,28H,3-5,10-11H2,1-2H3,(H,27,34)(H,32,33)
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n/an/an/an/a 3n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair