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BDBM161175 US9682976, 61

SMILES: CC1(C)C[C@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCOC3)c(c2)C#N)ncc1F

InChI Key: InChIKey=OTPWEBUGLWNXLO-XUVXKRRUSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 161175   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-2


(Homo sapiens (Human))
BDBM161175
PNG
(US9682976, 61)
Show SMILES CC1(C)C[C@H](C[C@H]2CCCN12)Nc1nc(Nc2ccc(O[C@@H]3CCOC3)c(c2)C#N)ncc1F |r|
Show InChI InChI=1S/C25H31FN6O2/c1-25(2)12-18(11-19-4-3-8-32(19)25)29-23-21(26)14-28-24(31-23)30-17-5-6-22(16(10-17)13-27)34-20-7-9-33-15-20/h5-6,10,14,18-20H,3-4,7-9,11-12,15H2,1-2H3,(H2,28,29,30,31)/t18-,19+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1.00E+3n/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