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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 = 'BDBM203304'   
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))
BDBM203304
PNG
(US10227340, Example 152 | US9242975, 152)
Show SMILES NC(=O)c1nnc(o1)-c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C24H21N7O3S/c25-22(33)24-31-30-23(34-24)17-11-26-21(29-15-6-7-18-20(9-15)35-13-27-18)10-19(17)28-16(12-32)8-14-4-2-1-3-5-14/h1-7,9-11,13,16,32H,8,12H2,(H2,25,33)(H2,26,28,29)/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 24.5n/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))
BDBM203304
PNG
(US10227340, Example 152 | US9242975, 152)
Show SMILES NC(=O)c1nnc(o1)-c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C24H21N7O3S/c25-22(33)24-31-30-23(34-24)17-11-26-21(29-15-6-7-18-20(9-15)35-13-27-18)10-19(17)28-16(12-32)8-14-4-2-1-3-5-14/h1-7,9-11,13,16,32H,8,12H2,(H2,25,33)(H2,26,28,29)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 24.5n/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 substrates...


US Patent US9242975 (2016)


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