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BDBM187524 US9169252, 113

SMILES: CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12

InChI Key: InChIKey=OGEZLJGKMHUYIX-ZHNSNBKZNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 187524   
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))
BDBM187524
PNG
(US9169252, 113)
Show SMILES CC(CF)Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)-n1ccc2cncnc12
Show InChI InChI=1/C20H24F2N6O2/c1-12(7-21)27-15-6-17(28-5-4-13-8-23-11-26-18(13)28)24-9-14(15)19(29)25-10-16(22)20(2,3)30/h4-6,8-9,11-12,16,30H,7,10H2,1-3H3,(H,24,27)(H,25,29)/t12?,16-/s2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/a7.2n/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 L prepared from 15 L additions of enzyme and substrates (fluores...


US Patent US9169252 (2015)


BindingDB Entry DOI: 10.7270/Q2MP5235
More data for this
Ligand-Target Pair