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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 = 'BDBM203298'   
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))
BDBM203298
PNG
(US10227340, Example 115 | US9242975, 115)
Show SMILES CC(C)Nc1cc(Nc2ccc(cc2)C#N)ncc1-c1nnc(NC[C@@H](F)CO)o1
Show InChI InChI=1S/C20H22FN7O2/c1-12(2)25-17-7-18(26-15-5-3-13(8-22)4-6-15)23-10-16(17)19-27-28-20(30-19)24-9-14(21)11-29/h3-7,10,12,14,29H,9,11H2,1-2H3,(H,24,28)(H2,23,25,26)/t14-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22.9n/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))
BDBM203298
PNG
(US10227340, Example 115 | US9242975, 115)
Show SMILES CC(C)Nc1cc(Nc2ccc(cc2)C#N)ncc1-c1nnc(NC[C@@H](F)CO)o1
Show InChI InChI=1S/C20H22FN7O2/c1-12(2)25-17-7-18(26-15-5-3-13(8-22)4-6-15)23-10-16(17)19-27-28-20(30-19)24-9-14(21)11-29/h3-7,10,12,14,29H,9,11H2,1-2H3,(H,24,28)(H2,23,25,26)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22.9n/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