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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'JAK3/JAK1' and Ligand = 'BDBM50433253'   
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
JAK3/JAK1


(Homo sapiens (Human))		BDBM50433253
PNG
(CHEMBL2376143)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)-c1cn(C)c2cc(Cl)ccc12)C(=O)N1CC(C1)C#N |r|
Show InChI InChI=1S/C23H20ClN7O2/c1-12(23(33)31-9-13(6-25)10-31)28-22(32)16-7-26-21-20(16)29-18(8-27-21)17-11-30(2)19-5-14(24)3-4-15(17)19/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,28,32)/t12-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation

Bioorg Med Chem Lett 23: 2793-800 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.012
BindingDB Entry DOI: 10.7270/Q2QR4ZG3
More data for this
Ligand-Target Pair