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BDBM206151 US9255110, 64

SMILES: NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12

InChI Key: InChIKey=GHAHLIVGSBTTLD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 206151   
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))
BDBM206151
PNG
(US9255110, 64)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H20ClN5OS/c20-13-1-2-16(25-5-3-12(8-21)4-6-25)15(7-13)24-19(26)14-10-27-17-9-22-11-23-18(14)17/h1-2,7,9-12H,3-6,8,21H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 800n/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))
BDBM206151
PNG
(US9255110, 64)
Show SMILES NCC1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1csc2cncnc12
Show InChI InChI=1S/C19H20ClN5OS/c20-13-1-2-16(25-5-3-12(8-21)4-6-25)15(7-13)24-19(26)14-10-27-17-9-22-11-23-18(14)17/h1-2,7,9-12H,3-6,8,21H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 167n/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