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SMILES: CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cn1)C#N

InChI Key: InChIKey=OGMLTZUTACBZHC-MDWZMJQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 192808   
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))		BDBM192808
PNG
(US9187487, 70)
Show SMILES CN(C)C(=O)C(=Cc1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cn1)C#N |w:6.6|
Show InChI InChI=1S/C22H23N7O2/c1-22(2,3)19(30)16-11-25-20-18(16)28-17(12-26-20)27-15-7-6-14(24-10-15)8-13(9-23)21(31)29(4)5/h6-8,10-12H,1-5H3,(H,25,26)(H,27,28)/b13-8+
PDB

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PC sid
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Similars
US Patent
n/an/a 0.900n/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