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BDBM206142 US9255110, 55

SMILES: OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=FQVCSBNTPQDQSS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 206142   
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))
BDBM206142
PNG
(US9255110, 55)
Show SMILES OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H22N4O3/c28-17-6-8-18(9-7-17)30-21-13-16-5-2-1-4-15(16)12-20(21)26-23(29)19-14-25-27-11-3-10-24-22(19)27/h1-5,10-14,17-18,28H,6-9H2,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 124n/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
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM206142
PNG
(US9255110, 55)
Show SMILES OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H22N4O3/c28-17-6-8-18(9-7-17)30-21-13-16-5-2-1-4-15(16)12-20(21)26-23(29)19-14-25-27-11-3-10-24-22(19)27/h1-5,10-14,17-18,28H,6-9H2,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 628n/an/an/an/a7.225



ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
SYK activity is measured by phosphorylation of a peptide substrate (Biotin-EPEGDYEEVLE) with [gamma-33P] ATP. The enzyme reaction was conducted at 20...


US Patent US9255110 (2016)


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


(Homo sapiens (Human))
BDBM206142
PNG
(US9255110, 55)
Show SMILES OC1CCC(CC1)Oc1cc2ccccc2cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H22N4O3/c28-17-6-8-18(9-7-17)30-21-13-16-5-2-1-4-15(16)12-20(21)26-23(29)19-14-25-27-11-3-10-24-22(19)27/h1-5,10-14,17-18,28H,6-9H2,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 817n/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