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BDBM187721 US9169252, 272

SMILES: CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)C(C)C)-n1ncc2cc(cnc12)C#N

InChI Key: InChIKey=AAXBXPGVRRKMPI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 187721   
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))
BDBM187721
PNG
(US9169252, 272)
Show SMILES CC(C)Nc1cc(ncc1C(=O)NC1CCN(CC1)S(=O)(=O)C(C)C)-n1ncc2cc(cnc12)C#N
Show InChI InChI=1S/C24H30N8O3S/c1-15(2)29-21-10-22(32-23-18(13-28-32)9-17(11-25)12-27-23)26-14-20(21)24(33)30-19-5-7-31(8-6-19)36(34,35)16(3)4/h9-10,12-16,19H,5-8H2,1-4H3,(H,26,29)(H,30,33)
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MMDB

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PC sid
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Similars

US Patent
n/an/a 5.10n/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