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SMILES: OCCCn1ncc2cc(Nc3ncc(F)c(Nc4ccc5OCCOc5c4)n3)ccc12

InChI Key: InChIKey=DGIQLYMAFCCUGW-UHFFFAOYSA-N

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 = 255508   
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))
BDBM255508
PNG
(US10828301, Compound R935302 | US9499493, R935302)
Show SMILES OCCCn1ncc2cc(Nc3ncc(F)c(Nc4ccc5OCCOc5c4)n3)ccc12
Show InChI InChI=1S/C22H21FN6O3/c23-17-13-24-22(27-15-2-4-18-14(10-15)12-25-29(18)6-1-7-30)28-21(17)26-16-3-5-19-20(11-16)32-9-8-31-19/h2-5,10-13,30H,1,6-9H2,(H2,24,26,27,28)
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 26.5n/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))
BDBM255508
PNG
(US10828301, Compound R935302 | US9499493, R935302)
Show SMILES OCCCn1ncc2cc(Nc3ncc(F)c(Nc4ccc5OCCOc5c4)n3)ccc12
Show InChI InChI=1S/C22H21FN6O3/c23-17-13-24-22(27-15-2-4-18-14(10-15)12-25-29(18)6-1-7-30)28-21(17)26-16-3-5-19-20(11-16)32-9-8-31-19/h2-5,10-13,30H,1,6-9H2,(H2,24,26,27,28)
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 26.5n/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