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SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N

InChI Key: InChIKey=CFEDNKIXNWADGG-GOSISDBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 187401   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM187401
PNG
(US9169252, 2)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CC1)-n1ccc2cc(cnc12)C#N |r|
Show InChI InChI=1S/C22H23FN6O2/c1-22(2,31)18(23)12-27-21(30)16-11-25-19(8-17(16)28-15-3-4-15)29-6-5-14-7-13(9-24)10-26-20(14)29/h5-8,10-11,15,18,31H,3-4,12H2,1-2H3,(H,25,28)(H,27,30)/t18-/m1/s1
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Similars
US Patent
n/an/a 1.60n/an/an/an/a7.2n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...

US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair