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BDBM283940 US10023562, Example 132::US9657009, 132

SMILES: CC(C)Nc1cc(Nc2ncncc2N)ncc1C(=O)NC[C@@H](F)C(C)(C)O

InChI Key: InChIKey=ADQBRLCEOHDVNH-YQTOOIBONA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 283940   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM283940
PNG
(US10023562, Example 132 | US9657009, 132)
Show SMILES CC(C)Nc1cc(Nc2ncncc2N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
Show InChI InChI=1/C18H26FN7O2/c1-10(2)25-13-5-15(26-16-12(20)7-21-9-24-16)22-6-11(13)17(27)23-8-14(19)18(3,4)28/h5-7,9-10,14,28H,8,20H2,1-4H3,(H,23,27)(H2,21,22,24,25,26)/t14-/s2
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

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 US9657009 (2017)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2D79DGD
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM283940
PNG
(US10023562, Example 132 | US9657009, 132)
Show SMILES CC(C)Nc1cc(Nc2ncncc2N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
Show InChI InChI=1/C18H26FN7O2/c1-10(2)25-13-5-15(26-16-12(20)7-21-9-24-16)22-6-11(13)17(27)23-8-14(19)18(3,4)28/h5-7,9-10,14,28H,8,20H2,1-4H3,(H,23,27)(H2,21,22,24,25,26)/t14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 13n/an/an/an/a7.225



Bristol-Myers Squibb Co.

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 US10023562 (2018)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2ZS2ZJR
More data for this
Ligand-Target Pair