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BDBM334069 4-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]pyrimidin-1- yl)ethyl]-6-chloro-3-ethoxy-2-[1- (2-hydroxy-1-methylethyl)azetidin-3-yl]benzonitrile::US9730939, Example 223::US9730939, Example 224::US9730939, Example 225

SMILES: CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)C(C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=ZKWCSUHNNUZXJE-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 = 334069   
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


(Homo sapiens (Human))
BDBM334069
PNG
(4-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]pyrimidi...)
Show SMILES CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H28ClN7O2/c1-5-33-21-16(14(4)31-23-19(13(3)29-31)22(26)27-11-28-23)6-18(24)17(7-25)20(21)15-8-30(9-15)12(2)10-32/h6,11-12,14-15,32H,5,8-10H2,1-4H3,(H2,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

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


(Homo sapiens (Human))
BDBM334069
PNG
(4-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]pyrimidi...)
Show SMILES CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H28ClN7O2/c1-5-33-21-16(14(4)31-23-19(13(3)29-31)22(26)27-11-28-23)6-18(24)17(7-25)20(21)15-8-30(9-15)12(2)10-32/h6,11-12,14-15,32H,5,8-10H2,1-4H3,(H2,26,27,28)
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 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)

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


(Homo sapiens (Human))
BDBM334069
PNG
(4-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]pyrimidi...)
Show SMILES CCOc1c(cc(Cl)c(C#N)c1C1CN(C1)C(C)CO)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C23H28ClN7O2/c1-5-33-21-16(14(4)31-23-19(13(3)29-31)22(26)27-11-28-23)6-18(24)17(7-25)20(21)15-8-30(9-15)12(2)10-32/h6,11-12,14-15,32H,5,8-10H2,1-4H3,(H2,26,27,28)
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 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)

More data for this
Ligand-Target Pair