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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-2' and Ligand = 'BDBM50238648'   
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))
BDBM50238648
PNG
(CHEMBL4102828)
Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6O2S/c1-28-18(10-17-13-5-3-4-6-14(13)20(31)29(2)27-17)25-26-21(28)32-11-19(30)24-16-8-7-12(22)9-15(16)23/h3-9H,10-11H2,1-2H3,(H,24,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IL2-induced STAT3 phosphorylation in human NK92 cells incubated for 30 mins followed by IL-15 stimulation and measured after 1 hr by al...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116161
BindingDB Entry DOI: 10.7270/Q2FF3X47
More data for this
Ligand-Target Pair
Interleukin-2


(Homo sapiens (Human))
BDBM50238648
PNG
(CHEMBL4102828)
Show SMILES Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H18Cl2N6O2S/c1-28-18(10-17-13-5-3-4-6-14(13)20(31)29(2)27-17)25-26-21(28)32-11-19(30)24-16-8-7-12(22)9-15(16)23/h3-9H,10-11H2,1-2H3,(H,24,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.05E+4n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human IL-2 by SPR assay


J Med Chem 60: 6249-6272 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00485
BindingDB Entry DOI: 10.7270/Q20V8G2Z
More data for this
Ligand-Target Pair