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BDBM187943 US9169252, 486

SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(N)=O)-n1ccc2cc(cnc12)C#N

InChI Key: InChIKey=JCDRPJYGLJFCLQ-HGHGUNKESA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 187943   
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))		BDBM187943
PNG
(US9169252, 486)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(N)=O)-n1ccc2cc(cnc12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.56,.67,;-8.33,-.66,;-9.1,.67,;-9.66,-1.43,;-7,-1.43,;-7,-2.97,;-5.66,-.66,;-4.33,-1.43,;-2.99,-.66,;-2.99,.88,;-1.66,-1.43,;-1.66,-2.97,;-.33,-3.74,;1.01,-2.97,;1.01,-1.43,;-.33,-.66,;-.33,.88,;1.01,1.65,;1.01,3.19,;2.34,3.96,;3.67,3.19,;3.67,1.65,;2.34,.88,;5.01,3.96,;6.34,3.19,;5.01,5.5,;2.34,-3.74,;2.58,-5.26,;4.1,-5.5,;4.8,-4.13,;6.29,-3.73,;6.69,-2.24,;5.6,-1.15,;4.11,-1.55,;3.71,-3.04,;8.18,-1.84,;9.66,-1.45,)|
Show InChI InChI=1S/C26H30FN7O3/c1-26(2,37)21(27)14-32-25(36)19-13-30-22(34-8-7-17-9-15(11-28)12-31-24(17)34)10-20(19)33-18-5-3-16(4-6-18)23(29)35/h7-10,12-13,16,18,21,37H,3-6,14H2,1-2H3,(H2,29,35)(H,30,33)(H,32,36)/t16-,18-,21-/m1/s1
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Similars
US Patent
n/an/a 1.20n/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