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BDBM50040791 CHEMBL3353196

SMILES: CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1

InChI Key: InChIKey=HDXANJDUKAUXFF-YQTOOIBONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040791   
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))
BDBM50040791
PNG
(CHEMBL3353196)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1/C22H23N7O2S2/c1-12(2)25-17-8-19(26-13-3-4-16-18(7-13)32-11-24-16)23-9-15(17)20-27-28-21(33-20)22(31)29-6-5-14(30)10-29/h3-4,7-9,11-12,14,30H,5-6,10H2,1-2H3,(H2,23,25,26)/t14-/s2
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00280n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair