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BDBM187585 US9169252, 149

SMILES: CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cncnc12

InChI Key: InChIKey=CZMIPRVOPHHGTJ-AGDOHHJYNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 187585   
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))
BDBM187585
PNG
(US9169252, 149)
Show SMILES CCC(O)(CC)[C@H](F)CNC(=O)c1cnc(cc1NC(C)C)-n1ncc2cncnc12
Show InChI InChI=1/C21H28FN7O2/c1-5-21(31,6-2)17(22)11-25-20(30)15-10-24-18(7-16(15)28-13(3)4)29-19-14(9-27-29)8-23-12-26-19/h7-10,12-13,17,31H,5-6,11H2,1-4H3,(H,24,28)(H,25,30)/t17-/s2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.30n/an/an/an/a7.2n/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 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