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SMILES: CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O

InChI Key: InChIKey=XIQIABFZTSHPQF-CVEARBPZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 319566   
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))
BDBM319566
PNG
(1-(((4S,7R)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4...)
Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O |r|
Show InChI InChI=1S/C20H22FN3O4/c1-10(2)28-14-8-12-11(7-13(14)17(22)25)3-6-23-19(12)27-9-15-20(4-5-20)16(21)18(26)24-15/h3,6-8,10,15-16H,4-5,9H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319566
PNG
(1-(((4S,7R)-7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4...)
Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)[C@H](F)C33CC3)nccc2cc1C(N)=O |r|
Show InChI InChI=1S/C20H22FN3O4/c1-10(2)28-14-8-12-11(7-13(14)17(22)25)3-6-23-19(12)27-9-15-20(4-5-20)16(21)18(26)24-15/h3,6-8,10,15-16H,4-5,9H2,1-2H3,(H2,22,25)(H,24,26)/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair