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SMILES: CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N(C)C)cc3)nc12

InChI Key: InChIKey=LCALZYBFIOOZTN-OQLLNIDSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 192799   
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
Tyrosine-protein kinase JAK3 [781-1124]


(Homo sapiens (Human))		BDBM192799
PNG
(US9187487, 50)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N(C)C)cc3)nc12 |w:18.17|
Show InChI InChI=1S/C22H23N7O2/c1-13(2)26-21(30)17-11-24-20-19(17)28-18(12-25-20)27-16-7-5-14(6-8-16)9-15(10-23)22(31)29(3)4/h5-9,11-13H,1-4H3,(H,24,25)(H,26,30)(H,27,28)/b15-9+
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Similars
US Patent
n/an/a 0.200n/an/an/an/a7.5-248.15



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
Phosphorylation of the appropriate peptide substrate (fluorescently labeled Srctide) by recombinant JAK3 (catalytic domain, aa 781-1124) was measured...

US Patent US9187487 (2015)


BindingDB Entry DOI: 10.7270/Q2K936B3
More data for this
Ligand-Target Pair