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BDBM209623 US9546153, ex. 171

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC(F)(F)C(C)(C)O

InChI Key: InChIKey=LEQZMPAGYNROEK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 209623   
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))
BDBM209623
PNG
(US9546153, ex. 171)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCC(F)(F)C(C)(C)O
Show InChI InChI=1S/C21H25F2N5O2S/c1-12(2)27-16-8-18(28-13-5-6-15-17(7-13)31-11-26-15)24-9-14(16)19(29)25-10-21(22,23)20(3,4)30/h5-9,11-12,30H,10H2,1-4H3,(H,25,29)(H2,24,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/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