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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 = 'BDBM203289'   
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))
BDBM203289
PNG
(US10227340, Example 25 | US9242975, 25)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(=O)NCCCN2CCCCC2)c(C)s1
Show InChI InChI=1S/C28H35N7OS2/c1-18(2)32-23-15-25(33-20-8-9-22-24(14-20)37-17-31-22)30-16-21(23)28-34-26(19(3)38-28)27(36)29-10-7-13-35-11-5-4-6-12-35/h8-9,14-18H,4-7,10-13H2,1-3H3,(H,29,36)(H2,30,32,33)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



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 US10227340 (2019)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM203289
PNG
(US10227340, Example 25 | US9242975, 25)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(=O)NCCCN2CCCCC2)c(C)s1
Show InChI InChI=1S/C28H35N7OS2/c1-18(2)32-23-15-25(33-20-8-9-22-24(14-20)37-17-31-22)30-16-21(23)28-34-26(19(3)38-28)27(36)29-10-7-13-35-11-5-4-6-12-35/h8-9,14-18H,4-7,10-13H2,1-3H3,(H,29,36)(H2,30,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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 substrates...


US Patent US9242975 (2016)


BindingDB Entry DOI: 10.7270/Q2MC8XVD
More data for this
Ligand-Target Pair