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BDBM261299 US10092570, Example 321::US9707233, 328::US9730939, Example 321::US9932341, Example 321

SMILES: CCOc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=RQQODWZQAMFISJ-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 261299   
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
p110delta/p85alpha


(Homo sapiens (Human))
BDBM261299
PNG
(US10092570, Example 321 | US9707233, 328 | US97309...)
Show SMILES CCOc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1/C25H33N7O2/c1-7-34-22-18(16(4)32-24-20(15(3)30-32)23(27)28-13-29-24)8-14(2)19(9-26)21(22)17-10-31(11-17)12-25(5,6)33/h8,13,16-17,33H,7,10-12H2,1-6H3,(H2,27,28,29)
PDB

UniProtKB/SwissProt

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



Incyte Holdings 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM261299
PNG
(US10092570, Example 321 | US9707233, 328 | US97309...)
Show SMILES CCOc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1/C25H33N7O2/c1-7-34-22-18(16(4)32-24-20(15(3)30-32)23(27)28-13-29-24)8-14(2)19(9-26)21(22)17-10-31(11-17)12-25(5,6)33/h8,13,16-17,33H,7,10-12H2,1-6H3,(H2,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors wer...


US Patent US9932341 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM261299
PNG
(US10092570, Example 321 | US9707233, 328 | US97309...)
Show SMILES CCOc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1/C25H33N7O2/c1-7-34-22-18(16(4)32-24-20(15(3)30-32)23(27)28-13-29-24)8-14(2)19(9-26)21(22)17-10-31(11-17)12-25(5,6)33/h8,13,16-17,33H,7,10-12H2,1-6H3,(H2,27,28,29)
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

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
BindingDB Entry DOI: 10.7270/Q2GB265W
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM261299
PNG
(US10092570, Example 321 | US9707233, 328 | US97309...)
Show SMILES CCOc1c(cc(C)c(C#N)c1C1CN(CC(C)(C)O)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1/C25H33N7O2/c1-7-34-22-18(16(4)32-24-20(15(3)30-32)23(27)28-13-29-24)8-14(2)19(9-26)21(22)17-10-31(11-17)12-25(5,6)33/h8,13,16-17,33H,7,10-12H2,1-6H3,(H2,27,28,29)
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/a6.725



Incyte Holdings Corporation

US Patent


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


US Patent US10092570 (2018)


Article DOI: 10.1021/jm050346q
BindingDB Entry DOI: 10.7270/Q2PZ5BW5
More data for this
Ligand-Target Pair