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BDBM209016 US9546153, ex. 89

SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC2CCC1C2

InChI Key: InChIKey=WTPVUCCOSQQUDU-VFYMUOQONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 209016   
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))
BDBM209016
PNG
(US9546153, ex. 89)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CC2CCC1C2
Show InChI InChI=1/C25H30FN5O2S/c1-25(2,33)22(26)12-28-24(32)17-11-27-23(30-16-5-6-18-21(9-16)34-13-29-18)10-20(17)31-19-8-14-3-4-15(19)7-14/h5-6,9-11,13-15,19,22,33H,3-4,7-8,12H2,1-2H3,(H,28,32)(H2,27,30,31)/t14?,15?,19?,22-/s2
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/a7.225



Bristol-Myers Squibb Co.

US Patent


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


US Patent US9546153 (2017)


BindingDB Entry DOI: 10.7270/Q28C9Z71
More data for this
Ligand-Target Pair