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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Interleukin-2 (IL-2)' AND taxid = 9606   
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
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM50229786
PNG
(5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...)
Show SMILES CC(C)CC([NH+]=C(N)N)C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)-c1ccc(OCc2ccc(o2)C([O-])=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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60n/an/an/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to IL2 assessed as inhibition of IL2-IL2Ralpha interaction


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128384
PNG
(US8802721, 1)
Show SMILES Fc1cccc(F)c1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H9ClF5NOS/c19-11-5-4-9(18(22,23)24)8-10(11)14-6-7-15(27-14)17(26)25-16-12(20)2-1-3-13(16)21/h1-8H,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128386
PNG
(US8802721, 3)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C20H15F2NO3S/c1-11-6-7-12(20(25)26-2)10-13(11)16-8-9-17(27-16)19(24)23-18-14(21)4-3-5-15(18)22/h3-10H,1-2H3,(H,23,24)
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n/an/a 6.40n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128385
PNG
(US8802721, 2)
Show SMILES Cc1cnccc1NC(=O)c1ccc(s1)-c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H12ClF3N2OS/c1-10-9-23-7-6-14(10)24-17(25)16-5-4-15(26-16)12-8-11(18(20,21)22)2-3-13(12)19/h2-9H,1H3,(H,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128388
PNG
(US8802721, 117)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(s1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H10F5NOS/c19-12-5-2-6-13(20)16(12)17(25)24-15-8-7-14(26-15)10-3-1-4-11(9-10)18(21,22)23/h1-9H,(H,24,25)
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n/an/a 16.5n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128387
PNG
(US8802721, 4)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1ccc(s1)C(=O)Nc1ccncc1C
Show InChI InChI=1S/C20H18N2O3S/c1-12-4-5-14(20(24)25-3)10-15(12)17-6-7-18(26-17)19(23)22-16-8-9-21-11-13(16)2/h4-11H,1-3H3,(H,21,22,23)
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n/an/a 58.5n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128391
PNG
(US8802721, 120)
Show SMILES COC(=O)c1cccc(c1)-c1sc(NC(=O)c2c(F)cccc2F)cc1C
Show InChI InChI=1S/C20H15F2NO3S/c1-11-9-16(23-19(24)17-14(21)7-4-8-15(17)22)27-18(11)12-5-3-6-13(10-12)20(25)26-2/h3-10H,1-2H3,(H,23,24)
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n/an/a 87n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128390
PNG
(US8802721, 119)
Show SMILES Cc1ccc(cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1)-c1ncco1
Show InChI InChI=1S/C21H14F2N2O2S/c1-12-5-6-13(21-24-9-10-27-21)11-14(12)17-7-8-18(28-17)25-20(26)19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
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n/an/a 94.8n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128389
PNG
(US8802721, 118)
Show SMILES COC(=O)c1ccc(C)c(c1)-c1ccc(NC(=O)c2c(F)cccc2F)s1
Show InChI InChI=1S/C20H15F2NO3S/c1-11-6-7-12(20(25)26-2)10-13(11)16-8-9-17(27-16)23-19(24)18-14(21)4-3-5-15(18)22/h3-10H,1-2H3,(H,23,24)
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n/an/a 104n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM128392
PNG
(US8802721, 121)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(s1)-c1cccc(c1)-c1cnco1
Show InChI InChI=1S/C20H12F2N2O2S/c21-14-5-2-6-15(22)19(14)20(25)24-18-8-7-17(27-18)13-4-1-3-12(9-13)16-10-23-11-26-16/h1-11H,(H,24,25)
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n/an/a 164n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at differe...


US Patent US8802721 (2014)

More data for this
Ligand-Target Pair
Interleukin-2 (IL-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
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)


Citation and Details
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=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)


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-2 (IL-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)


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-2 (IL-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)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM50021396
PNG
(CHEMBL3289607)
Show SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C/C)[C@@H]1CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
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 2n/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)


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-2 (IL-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
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)


Citation and Details
More data for this
Ligand-Target Pair
Interleukin-2 (IL-2)


(Homo sapiens (Human))
BDBM50021400
PNG
(CHEBI:74020 | DISOGLUSIDE)
Show SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@@H](C)CO1
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 2.90E+5n/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)


Citation and Details
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=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)


Citation and Details
More data for this
Ligand-Target Pair