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Compile Data Set for Download or QSAR

Found 41 hits of kd data for polymerid = 6408   
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
Interleukin-2


(Homo sapiens (Human))
BDBM50021400
PNG
(CHEBI:74020 | DISOGLUSIDE)
Show SMILES [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:8|
Show InChI InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1
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n/an/an/a 0.0290n/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


(Homo sapiens (Human))
BDBM50021396
PNG
(CHEMBL3289607)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@@H](CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)\C1=C\C)C(=O)OC |r,c:16|
Show InChI InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3-/t17-,19+,20+,22+,23+,24-,25-,26+,27+,29-,30+,31-/m0/s1
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n/an/an/a 2.59n/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


(Homo sapiens (Human))
BDBM50241242
PNG
(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/a 20n/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


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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


(Homo sapiens (Human))
BDBM50021399
PNG
(CHEMBL3289611)
Show SMILES NC(=N)NC(C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)
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n/an/an/a 55n/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
3D
3D Structure (crystal)
Interleukin-2


(Homo sapiens (Human))
BDBM50229786
PNG
(5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](\[#7+]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2ccc(o2)-[#6](-[#8-])=O)c(Cl)c1Cl
Show InChI InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)
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n/an/an/a 100n/an/an/an/an/a


TBA

Assay Description
Binding affinity to IL2 (unknown origin) by SPR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Interleukin-2


(Homo sapiens (Human))
BDBM50575305
PNG
(CHEMBL4866037)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 210n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575304
PNG
(CHEMBL4877313)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 250n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575314
PNG
(CHEMBL4874500)
Show SMILES OC(=O)[C@H](Cc1cccc(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 250n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575317
PNG
(CHEMBL4845813)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2ccc(F)cc2[nH]1 |r|
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n/an/an/a 280n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575306
PNG
(CHEMBL4855828)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(Br)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 300n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575316
PNG
(CHEMBL4866759)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
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n/an/an/a 330n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575321
PNG
(CHEMBL4851618)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|
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n/an/an/a 340n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575318
PNG
(CHEMBL4870031)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2cccc(F)c2[nH]1 |r|
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n/an/an/a 390n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575319
PNG
(CHEMBL4869829)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2ccccc2[nH]1 |r|
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n/an/an/a 420n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575315
PNG
(CHEMBL4870525)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1c[nH]c2cccc(F)c12 |r|
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n/an/an/a 510n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575307
PNG
(CHEMBL4873867)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 590n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575312
PNG
(CHEMBL4852232)
Show SMILES OC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 640n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575323
PNG
(CHEMBL4871406)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|
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n/an/an/a 710n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575309
PNG
(CHEMBL4856339)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 720n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575311
PNG
(CHEMBL4875916)
Show SMILES OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
PDB
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n/an/an/a 750n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50579802
PNG
(CHEMBL5081901)
Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(OCCCc2cn(CCOCCOCCOCCOCCNC(=O)C3CCC(CN4C(=O)C=CC4=O)CC3)nn2)cc(c1)C(O)=O |c:47,(9.58,-37.95,;8.12,-38.43,;7.64,-39.9,;6.1,-39.89,;5.63,-38.43,;4.16,-37.96,;6.87,-37.52,;6.87,-35.98,;5.53,-35.21,;5.53,-33.67,;6.87,-32.9,;6.87,-31.36,;8.2,-30.59,;8.2,-29.04,;9.53,-28.27,;10.87,-29.03,;12.2,-28.26,;13.53,-29.02,;14.86,-28.25,;16.28,-28.86,;17.3,-27.71,;18.83,-27.87,;19.73,-26.62,;21.27,-26.77,;22.17,-25.52,;23.7,-25.68,;24.6,-24.43,;26.13,-24.59,;27.03,-23.34,;28.56,-23.49,;29.46,-22.24,;31,-22.4,;31.9,-21.15,;33.43,-21.3,;34.33,-20.05,;35.86,-20.21,;36.76,-18.96,;36.13,-17.56,;38.29,-19.12,;38.92,-20.52,;40.44,-20.68,;41.35,-19.43,;42.88,-19.59,;43.51,-21,;45.02,-21.32,;46.16,-20.28,;45.18,-22.85,;43.77,-23.47,;42.74,-22.33,;41.21,-22.49,;40.72,-18.03,;39.18,-17.86,;16.53,-26.38,;15.02,-26.71,;6.86,-28.28,;5.54,-29.05,;5.53,-30.59,;4.2,-28.28,;4.2,-26.74,;2.86,-29.05,)|
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n/an/an/a 851n/an/an/an/an/a


TBA

Assay Description
Induction of stability of human recombinant interleukin 2 assessed as binding affinity of drug-conjugated rIL2 to human TTR in PBS buffer at pH 7.4 m...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01426
BindingDB Entry DOI: 10.7270/Q20005XS
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575324
PNG
(CHEMBL4846246)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|
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n/an/an/a 870n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575308
PNG
(CHEMBL4872601)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 920n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575322
PNG
(CHEMBL4861027)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r|
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n/an/an/a 1.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575310
PNG
(CHEMBL4879282)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cc3c(F)cccc3[nH]2)C(O)=O)cc1 |r|
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n/an/an/a 1.30E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575313
PNG
(CHEMBL4876740)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2c(F)cccc2[nH]1 |r|
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n/an/an/a 1.40E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575325
PNG
(CHEMBL4867370)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@@H]1CCCN(C1)C(N)=N |r|
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n/an/an/a 1.50E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575320
PNG
(CHEMBL4863588)
Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2o1 |r|
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n/an/an/a 2.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50409029
PNG
(DAIDZIN)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
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n/an/an/a 3.38E+3n/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


(Homo sapiens (Human))
BDBM50532281
PNG
(CHEMBL4515387)
Show SMILES CCCC#Cc1ccc(C[C@@H](NC(=O)CCn2c(C)cc3ccccc23)C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-3-4-5-8-20-11-13-21(14-12-20)18-23(26(30)31)27-25(29)15-16-28-19(2)17-22-9-6-7-10-24(22)28/h6-7,9-14,17,23H,3-4,15-16,18H2,1-2H3,(H,27,29)(H,30,31)/t23-/m1/s1
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n/an/an/a 4.20E+3n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human IL-2 measured over 30 mins by fluorescence polarization assay


J Med Chem 59: 6629-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01874
BindingDB Entry DOI: 10.7270/Q2N58QV5
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50532281
PNG
(CHEMBL4515387)
Show SMILES CCCC#Cc1ccc(C[C@@H](NC(=O)CCn2c(C)cc3ccccc23)C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H28N2O3/c1-3-4-5-8-20-11-13-21(14-12-20)18-23(26(30)31)27-25(29)15-16-28-19(2)17-22-9-6-7-10-24(22)28/h6-7,9-14,17,23H,3-4,15-16,18H2,1-2H3,(H,27,29)(H,30,31)/t23-/m1/s1
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n/an/an/a 4.20E+3n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human IL-2 measured over 30 mins by fluorescence polarization assay


J Med Chem 59: 6629-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01874
BindingDB Entry DOI: 10.7270/Q2N58QV5
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50021398
PNG
(CHEBI:18088 | FORMONONETIN | NSC-93360)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
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n/an/an/a 5.47E+3n/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


(Homo sapiens (Human))
BDBM50238649
PNG
(CHEMBL4103753)
Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H30Cl2N6O2S/c1-34-24(17-23-19-10-7-8-11-20(19)26(37)35(2)33-23)31-32-27(34)38-15-9-5-3-4-6-12-25(36)30-22-14-13-18(28)16-21(22)29/h7-8,10-11,13-14,16H,3-6,9,12,15,17H2,1-2H3,(H,30,36)
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n/an/an/a 8.00E+3n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50238650
PNG
(CHEMBL4085144)
Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCCCCCCCC(=O)Nc1ccc(Br)cc1Br
Show InChI InChI=1S/C27H30Br2N6O2S/c1-34-24(17-23-19-10-7-8-11-20(19)26(37)35(2)33-23)31-32-27(34)38-15-9-5-3-4-6-12-25(36)30-22-14-13-18(28)16-21(22)29/h7-8,10-11,13-14,16H,3-6,9,12,15,17H2,1-2H3,(H,30,36)
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n/an/an/a 1.00E+4n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50238648
PNG
(CHEMBL4102828)
Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6O2S/c1-28-18(10-17-13-5-3-4-6-14(13)20(31)29(2)27-17)25-26-21(28)32-11-19(30)24-16-8-7-12(22)9-15(16)23/h3-9H,10-11H2,1-2H3,(H,24,30)
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n/an/an/a 1.05E+4n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50238651
PNG
(CHEMBL4093847)
Show SMILES COc1ccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c(O)c1
Show InChI InChI=1S/C28H34N6O4S/c1-33-25(18-23-20-11-8-9-12-21(20)27(37)34(2)32-23)30-31-28(33)39-16-10-6-4-5-7-13-26(36)29-22-15-14-19(38-3)17-24(22)35/h8-9,11-12,14-15,17,35H,4-7,10,13,16,18H2,1-3H3,(H,29,36)
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n/an/an/a 1.25E+4n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50575325
PNG
(CHEMBL4867370)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)C#Cc1ccccc1)NC(=O)C[C@@H]1CCCN(C1)C(N)=N |r|
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n/an/an/a 2.20E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to IL2 (unknown origin) by SPR assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01693
BindingDB Entry DOI: 10.7270/Q2H135TK
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50238646
PNG
(CHEMBL4101389)
Show SMILES CCOC(=O)c1cccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c1
Show InChI InChI=1S/C30H36N6O4S/c1-4-40-29(39)21-13-12-14-22(19-21)31-27(37)17-8-6-5-7-11-18-41-30-33-32-26(35(30)2)20-25-23-15-9-10-16-24(23)28(38)36(3)34-25/h9-10,12-16,19H,4-8,11,17-18,20H2,1-3H3,(H,31,37)
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n/an/an/a 2.31E+4n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50238652
PNG
(CHEMBL4066271)
Show SMILES COc1ccc(NC(=O)CCCCCCCSc2nnc(Cc3nn(C)c(=O)c4ccccc34)n2C)c(OC)c1
Show InChI InChI=1S/C29H36N6O4S/c1-34-26(19-24-21-12-9-10-13-22(21)28(37)35(2)33-24)31-32-29(34)40-17-11-7-5-6-8-14-27(36)30-23-16-15-20(38-3)18-25(23)39-4/h9-10,12-13,15-16,18H,5-8,11,14,17,19H2,1-4H3,(H,30,36)
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n/an/an/a 2.76E+4n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair