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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 = 'BDBM203305'   
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))
BDBM203305
PNG
(US10227340, Example 161 | US9242975, 161)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)C(=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H26N8O2S/c1-13(2)27-18-10-20(28-15-3-4-17-19(9-15)34-12-26-17)25-11-16(18)21-29-30-22(33-21)23(32)31-7-5-14(24)6-8-31/h3-4,9-14H,5-8,24H2,1-2H3,(H2,25,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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))
BDBM203305
PNG
(US10227340, Example 161 | US9242975, 161)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(o1)C(=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H26N8O2S/c1-13(2)27-18-10-20(28-15-3-4-17-19(9-15)34-12-26-17)25-11-16(18)21-29-30-22(33-21)23(32)31-7-5-14(24)6-8-31/h3-4,9-14H,5-8,24H2,1-2H3,(H2,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/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