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BDBM211104 US9546153, ex. 514

SMILES: CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1

InChI Key: InChIKey=IOOAUTUMVNREKK-QAQDUYKDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 211104   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM211104
PNG
(US9546153, ex. 514)
Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1
Show InChI InChI=1S/C25H31N7O3S/c1-15(33)28-16-2-4-17(5-3-16)30-24(34)19-13-26-23(12-21(19)29-18-8-10-35-11-9-18)31-22-7-6-20-25(32-22)36-14-27-20/h6-7,12-14,16-18H,2-5,8-11H2,1H3,(H,28,33)(H,30,34)(H2,26,29,31,32)/t16-,17-
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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 US9546153 (2017)


BindingDB Entry DOI: 10.7270/Q28C9Z71
More data for this
Ligand-Target Pair