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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM210585'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM210585
PNG
(US9546153, ex. 450 | US9546153, ex. 451)
Show SMILES CC(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
Show InChI InChI=1S/C21H25F2N5O2S/c1-12(22)8-24-16-7-19(28-13-4-5-15-17(6-13)31-11-27-15)25-9-14(16)20(29)26-10-18(23)21(2,3)30/h4-7,9,11-12,18,30H,8,10H2,1-3H3,(H,26,29)(H2,24,25,28)/t12?,18-/m1/s1
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/a7.225



Bristol-Myers Squibb Company

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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM210585
PNG
(US9546153, ex. 450 | US9546153, ex. 451)
Show SMILES CC(F)CNc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|
Show InChI InChI=1S/C21H25F2N5O2S/c1-12(22)8-24-16-7-19(28-13-4-5-15-17(6-13)31-11-27-15)25-9-14(16)20(29)26-10-18(23)21(2,3)30/h4-7,9,11-12,18,30H,8,10H2,1-3H3,(H,26,29)(H2,24,25,28)/t12?,18-/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 5n/an/an/an/a7.225



Bristol-Myers Squibb Company

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