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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-2' and Ligand = 'BDBM387281'   
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


(Homo sapiens (Human))
BDBM387281
PNG
(N-(5-(5- (5,5-Dimethyl-4-oxo- 4,5-dihydroisoxazol-...)
Show SMILES Cc1ccc(cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1)C1=NOC(C)(C)C1=O |t:27|
Show InChI InChI=1S/C24H19F2N3O3/c1-13-7-8-14(21-22(30)24(2,3)32-29-21)11-16(13)15-9-10-19(27-12-15)28-23(31)20-17(25)5-4-6-18(20)26/h4-12H,1-3H3,(H,27,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 178n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01403
BindingDB Entry DOI: 10.7270/Q2C82F4Q
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM387281
PNG
(N-(5-(5- (5,5-Dimethyl-4-oxo- 4,5-dihydroisoxazol-...)
Show SMILES Cc1ccc(cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1)C1=NOC(C)(C)C1=O |t:27|
Show InChI InChI=1S/C24H19F2N3O3/c1-13-7-8-14(21-22(30)24(2,3)32-29-21)11-16(13)15-9-10-19(27-12-15)28-23(31)20-17(25)5-4-6-18(20)26/h4-12H,1-3H3,(H,27,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Jurkat T cells were seeded at a density of 0.5 to 1 million cells per well in RPMI medium. Test compounds from this invention were added to the cells...


Bioorg Med Chem Lett 18: 1958-62 (2008)


BindingDB Entry DOI: 10.7270/Q2D50Q8B
More data for this
Ligand-Target Pair