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BDBM187631 US9169252, 185

SMILES: CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N(C)C

InChI Key: InChIKey=GQUOYCHIEXIQOD-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 187631   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM187631
PNG
(US9169252, 185)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cnc(nc12)N(C)C
Show InChI InChI=1S/C22H30FN7O2/c1-13(2)27-16-9-18(24-11-15(16)20(31)25-12-17(23)22(3,4)32)30-8-7-14-10-26-21(29(5)6)28-19(14)30/h7-11,13,17,32H,12H2,1-6H3,(H,24,27)(H,25,31)/t17-/m1/s1
PDB
MMDB

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Similars

US Patent
n/an/a 3.40n/an/an/an/a7.2n/a



Bristol-Myers Squibb Co.

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