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SMILES: CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OCCC(N)c4c3)n2)c1

InChI Key: InChIKey=BONRMPSOCBJJJO-UHFFFAOYSA-N

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   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 = 255515   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255515
PNG
(US10828301, Compound R950368 | US9499493, R950368)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OCCC(N)c4c3)n2)c1
Show InChI InChI=1S/C22H23FN6O3/c1-25-20(30)12-32-15-4-2-3-13(9-15)28-22-26-11-17(23)21(29-22)27-14-5-6-19-16(10-14)18(24)7-8-31-19/h2-6,9-11,18H,7-8,12,24H2,1H3,(H,25,30)(H2,26,27,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.7n/an/an/an/an/an/a



Rigel Pharmceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US10828301 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255515
PNG
(US10828301, Compound R950368 | US9499493, R950368)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OCCC(N)c4c3)n2)c1
Show InChI InChI=1S/C22H23FN6O3/c1-25-20(30)12-32-15-4-2-3-13(9-15)28-22-26-11-17(23)21(29-22)27-14-5-6-19-16(10-14)18(24)7-8-31-19/h2-6,9-11,18H,7-8,12,24H2,1H3,(H,25,30)(H2,26,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.7n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.

US Patent


Assay Description
Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a bioch...


US Patent US9499493 (2016)


BindingDB Entry DOI: 10.7270/Q2WW7GKQ
More data for this
Ligand-Target Pair