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BDBM261314 US9707233, 343::US9730939, Example 343

SMILES: CCOc1c(cc(C)c(C#N)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=BIWLMIRVKBSFQI-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 = 261314   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM261314
PNG
(US9707233, 343 | US9730939, Example 343)
Show SMILES CCOc1c(cc(C)c(C#N)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H24N8O/c1-6-31-20-16(7-12(2)17(8-23)19(20)15-9-27-29(5)10-15)14(4)30-22-18(13(3)28-30)21(24)25-11-26-22/h7,9-11,14H,6H2,1-5H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


US Patent US9730939 (2017)


Article DOI: 10.1021/jm060967z
More data for this
Ligand-Target Pair
p110delta/p85alpha


(Homo sapiens (Human))
BDBM261314
PNG
(US9707233, 343 | US9730939, Example 343)
Show SMILES CCOc1c(cc(C)c(C#N)c1-c1cnn(C)c1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C22H24N8O/c1-6-31-20-16(7-12(2)17(8-23)19(20)15-9-27-29(5)10-15)14(4)30-22-18(13(3)28-30)21(24)25-11-26-22/h7,9-11,14H,6H2,1-5H3,(H2,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms α,...


US Patent US9707233 (2017)


BindingDB Entry DOI: 10.7270/Q2S46V0R
More data for this
Ligand-Target Pair