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5 similar compounds to monomer 50409029

Compile data set for download or QSAR
Wt: 458.4
BDBM95965
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Wt: 432.3
BDBM50242276
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Wt: 430.4
BDBM50409313
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Wt: 446.4
BDBM50021397
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Wt: 432.3
BDBM50025609
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 95965,50242276,50409313,50021397,50025609   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens (Human))
BDBM95965
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-chro...)
Show SMILES OCC1OC(Oc2ccc3c(c2)occ(-c2ccc4OCCOc4c2)c3=O)C(O)C(O)C1O
Show InChI InChI=1S/C23H22O10/c24-9-18-20(26)21(27)22(28)23(33-18)32-12-2-3-13-16(8-12)31-10-14(19(13)25)11-1-4-15-17(7-11)30-6-5-29-15/h1-4,7-8,10,18,20-24,26-28H,5-6,9H2
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n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM50021397
PNG
(CHEMBL3289608)
Show SMILES COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
Show InChI InChI=1/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/s2
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n/an/an/a 36n/an/an/an/an/a



The Second People's Hospital of Fujian Provinc

Curated by ChEMBL


Assay Description
Binding affinity to IL-2 (unknown origin)


Eur J Med Chem 83: 294-306 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.037
BindingDB Entry DOI: 10.7270/Q2NG4S7H
More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM50409313
PNG
(ONONIN)
Show SMILES COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
Show InChI InChI=1/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/s2
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n/an/an/a 120n/an/an/an/an/a



The Second People's Hospital of Fujian Provinc

Curated by ChEMBL


Assay Description
Binding affinity to IL-2 (unknown origin)


Eur J Med Chem 83: 294-306 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.037
BindingDB Entry DOI: 10.7270/Q2NG4S7H
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50021397
PNG
(CHEMBL3289608)
Show SMILES COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
Show InChI InChI=1/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/s2
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n/an/an/a 1.82E+3n/an/an/an/an/a



The Second People's Hospital of Fujian Provinc

Curated by ChEMBL


Assay Description
Binding affinity to TNF-alpha (unknown origin)


Eur J Med Chem 83: 294-306 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.037
BindingDB Entry DOI: 10.7270/Q2NG4S7H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50025609
PNG
(CHEBI:27514 | GENISTIN | Genistin)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mouse IL5-mediated mouse Y16 cell proliferation after 48 hrs by WST1 assay


Bioorg Med Chem 23: 2498-504 (2015)


Article DOI: 10.1016/j.bmc.2015.03.045
BindingDB Entry DOI: 10.7270/Q25D8TJF
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.06E+4n/an/an/an/an/an/a



College of Pharmacy and Institute of Drug Research and Development, Chungnam National University, Daejeon 34134, Republic of Korea.

Curated by ChEMBL


Assay Description
Inhibition of mouse IL-5-induced cell proliferation in mouse Y16 cells after 48 hrs by WST-1 assay relative to control


Eur J Med Chem 139: 290-304 (2017)

More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay


Eur J Med Chem 59: 31-8 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.007
BindingDB Entry DOI: 10.7270/Q2PV6MP4
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50409313
PNG
(ONONIN)
Show SMILES COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O
Show InChI InChI=1/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/s2
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n/an/a>6.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay


Bioorg Med Chem 18: 4441-5 (2010)


Article DOI: 10.1016/j.bmc.2010.04.075
BindingDB Entry DOI: 10.7270/Q2H41SDX
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay


Bioorg Med Chem 20: 5757-62 (2012)


Article DOI: 10.1016/j.bmc.2012.08.006
BindingDB Entry DOI: 10.7270/Q2PG1SSV
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of interleukin-5 in mouse Y16 cells


Bioorg Med Chem 18: 4625-9 (2011)


Article DOI: 10.1016/j.bmc.2010.05.028
BindingDB Entry DOI: 10.7270/Q2B8593F
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of interleukin-5 in mouse Y16 cells


Bioorg Med Chem 18: 4625-9 (2011)


Article DOI: 10.1016/j.bmc.2010.05.028
BindingDB Entry DOI: 10.7270/Q2B8593F
More data for this
Ligand-Target Pair
Interleukin-5


(Mus musculus)
BDBM50242276
PNG
(CHEMBL486626 | Sophoricoside)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-3-1-9(2-4-11)12-8-29-14-6-10(23)5-13(24)16(14)17(12)25/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/s2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition interleukin-5 in mouse Y16 cells after 48 hrs by WST-1 assay


Bioorg Med Chem 21: 2543-50 (2013)


Article DOI: 10.1016/j.bmc.2013.02.037
BindingDB Entry DOI: 10.7270/Q2RR20MV
More data for this
Ligand-Target Pair