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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-2' and Ligand = 'BDBM161903'   
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))
BDBM161903
PNG
(US9682976, 322 | US9682976, 323)
Show SMILES Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(N)=O)c1=O |r|
Show InChI InChI=1S/C24H30F2N10O3/c1-24(2)10-13(7-14-5-4-6-35(14)24)29-21-16(26)11-28-22(31-21)30-17-9-18(36-23(38)34(3)32-33-36)19(8-15(17)25)39-12-20(27)37/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H2,27,37)(H2,28,29,30,31)/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+4n/an/an/an/a



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Primary T cell stimulation and IL2 ELISA: Human primary T cells (100,000 cells per well) were pre-incubated with or without test compound in Yssel...


US Patent US9682976 (2017)


BindingDB Entry DOI: 10.7270/Q2DJ5CT2
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM161903
PNG
(US9682976, 322 | US9682976, 323)
Show SMILES Cn1nnn(-c2cc(Nc3ncc(F)c(N[C@@H]4C[C@@H]5CCCN5C(C)(C)C4)n3)c(F)cc2OCC(N)=O)c1=O |r|
Show InChI InChI=1S/C24H30F2N10O3/c1-24(2)10-13(7-14-5-4-6-35(14)24)29-21-16(26)11-28-22(31-21)30-17-9-18(36-23(38)34(3)32-33-36)19(8-15(17)25)39-12-20(27)37/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H2,27,37)(H2,28,29,30,31)/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<500n/an/an/an/a



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Primary T cell stimulation and IL2 ELISA: Human primary T cells (100,000 cells per well) were pre-incubated with or without test compound in Yssel...


US Patent US9682976 (2017)


BindingDB Entry DOI: 10.7270/Q2DJ5CT2
More data for this
Ligand-Target Pair