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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Interleukin-2' AND taxid = 10090   
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


(Mus musculus)
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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PubMed
n/an/a 5n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)


J Med Chem 38: 3361-7 (1995)

More data for this
Ligand-Target Pair
Interleukin-2


(Mus musculus)
BDBM50422041
PNG
(GECLOSPORIN)
Show SMILES CCC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12/c1-25-27-29-41(15)53(76)52-57(80)66-44(28-26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27,35-48,50-53,76H,26,28-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b27-25+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)


J Med Chem 38: 3361-7 (1995)

More data for this
Ligand-Target Pair
Interleukin-2


(Mus musculus)
BDBM50033061
PNG
(27-Hydroxymethyl-33-(1-hydroxy-2-methyl-hex-4-enyl...)
Show SMILES CCC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CO)N(C)C1=O)C(C)C
Show InChI InChI=1S/C64H115N11O13/c1-25-27-29-41(15)53(77)52-57(81)67-44(28-26-2)59(83)73(22)49(34-76)62(86)69(18)46(31-36(5)6)56(80)68-50(39(11)12)63(87)70(19)45(30-35(3)4)55(79)65-42(16)54(78)66-43(17)58(82)71(20)47(32-37(7)8)60(84)72(21)48(33-38(9)10)61(85)74(23)51(40(13)14)64(88)75(52)24/h25,27,35-53,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42-,43+,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)


J Med Chem 38: 3361-7 (1995)

More data for this
Ligand-Target Pair
Interleukin-2


(Mus musculus)
BDBM50033058
PNG
(33-(1-Hydroxy-2-methyl-hex-4-enyl)-30-(3-hydroxy-p...)
Show SMILES C\C=C\C[C@@H](C)[C@@H](O)[C@H]1N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](CCCO)NC1=O)C(C)C
Show InChI InChI=1S/C63H113N11O13/c1-24-25-27-41(14)53(77)52-57(81)66-44(28-26-29-75)59(83)68(17)34-49(76)69(18)45(30-35(2)3)56(80)67-50(39(10)11)62(86)70(19)46(31-36(4)5)55(79)64-42(15)54(78)65-43(16)58(82)71(20)47(32-37(6)7)60(84)72(21)48(33-38(8)9)61(85)73(22)51(40(12)13)63(87)74(52)23/h24-25,35-48,50-53,75,77H,26-34H2,1-23H3,(H,64,79)(H,65,78)(H,66,81)(H,67,80)/b25-24+/t41-,42-,43+,44-,45-,46-,47-,48-,50-,51-,52-,53-/m1/s1
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PubMed
n/an/a 70n/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)


J Med Chem 38: 3361-7 (1995)

More data for this
Ligand-Target Pair