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SMILES: CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCCCC4)cc3)nc12

InChI Key: InChIKey=NZDDKWPNCMLSGD-QGOAFFKASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 192811   
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))		BDBM192811
PNG
(US9187487, 76)
Show SMILES CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccc(C=C(C#N)C(=O)N4CCCCC4)cc3)nc12 |w:18.17|
Show InChI InChI=1S/C26H28N6O2/c1-26(2,3)23(33)20-15-28-24-22(20)31-21(16-29-24)30-19-9-7-17(8-10-19)13-18(14-27)25(34)32-11-5-4-6-12-32/h7-10,13,15-16H,4-6,11-12H2,1-3H3,(H,28,29)(H,30,31)/b18-13+
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Similars
US Patent
n/an/a 1n/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