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BDBM206131 US9255110, 44

SMILES: CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=FKNJKNHEBUMLTR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 206131   
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 1


(Homo sapiens (Human))
BDBM206131
PNG
(US9255110, 44)
Show SMILES CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H20ClN5O2/c1-12(26)13-5-8-24(11-13)17-4-3-14(20)9-16(17)23-19(27)15-10-22-25-7-2-6-21-18(15)25/h2-4,6-7,9-10,12-13,26H,5,8,11H2,1H3,(H,23,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 897n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM206131
PNG
(US9255110, 44)
Show SMILES CC(O)C1CCN(C1)c1ccc(Cl)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C19H20ClN5O2/c1-12(26)13-5-8-24(11-13)17-4-3-14(20)9-16(17)23-19(27)15-10-22-25-7-2-6-21-18(15)25/h2-4,6-7,9-10,12-13,26H,5,8,11H2,1H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/an/a



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...


US Patent US9255110 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9PZ2
More data for this
Ligand-Target Pair