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BDBM206779 US9546153, ex. 10

SMILES: OC1(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC2CC2)CCC1

InChI Key: InChIKey=XNQQZWJOOAHAAE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 206779   
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))
BDBM206779
PNG
(US9546153, ex. 10)
Show SMILES OC1(CCNC(=O)c2cnc(Nc3ccc4ncsc4c3)cc2NC2CC2)CCC1
Show InChI InChI=1S/C22H25N5O2S/c28-21(23-9-8-22(29)6-1-7-22)16-12-24-20(11-18(16)26-14-2-3-14)27-15-4-5-17-19(10-15)30-13-25-17/h4-5,10-14,29H,1-3,6-9H2,(H,23,28)(H2,24,26,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.10n/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