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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-2' and Ligand = 'BDBM50033061'   
Target/Host
(Institution)
LigandTarget/Host
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)
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
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q27W6B79
More data for this
Ligand-Target Pair