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BDBM289077 5-{1-[4-Amino-3-(difluoromethyl)- 1H-pyrazolo[3,4-d]pyrimidin-1- yl]ethyl}-2-fluoro-3-[1-(2- hydroxyethyl)azetidin-3-yl]-4- methoxybenzonitrile2::US10092570, Example 78::US10376513, Example 78::US10646492, Example 78::US9730939, Example 78

SMILES: COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12

InChI Key: InChIKey=WTISZRVMTGAQTB-UHFFFAOYSA-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 = 289077   
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))
BDBM289077
PNG
(5-{1-[4-Amino-3-(difluoromethyl)- 1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H22F3N7O2/c1-10(31-21-15(17(29-31)19(23)24)20(26)27-9-28-21)13-5-11(6-25)16(22)14(18(13)33-2)12-7-30(8-12)3-4-32/h5,9-10,12,19,32H,3-4,7-8H2,1-2H3,(H2,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
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AffyNet 
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
[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)


BindingDB Entry DOI: 10.7270/Q2PZ5BW5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM289077
PNG
(5-{1-[4-Amino-3-(difluoromethyl)- 1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H22F3N7O2/c1-10(31-21-15(17(29-31)19(23)24)20(26)27-9-28-21)13-5-11(6-25)16(22)14(18(13)33-2)12-7-30(8-12)3-4-32/h5,9-10,12,19,32H,3-4,7-8H2,1-2H3,(H2,26,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Incyte Corporation; Incyte Holdings 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 US10646492 (2020)

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


(Homo sapiens (Human))
BDBM289077
PNG
(5-{1-[4-Amino-3-(difluoromethyl)- 1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H22F3N7O2/c1-10(31-21-15(17(29-31)19(23)24)20(26)27-9-28-21)13-5-11(6-25)16(22)14(18(13)33-2)12-7-30(8-12)3-4-32/h5,9-10,12,19,32H,3-4,7-8H2,1-2H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Pt...


US Patent US10376513 (2019)


BindingDB Entry DOI: 10.7270/Q2GQ7142
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM289077
PNG
(5-{1-[4-Amino-3-(difluoromethyl)- 1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H22F3N7O2/c1-10(31-21-15(17(29-31)19(23)24)20(26)27-9-28-21)13-5-11(6-25)16(22)14(18(13)33-2)12-7-30(8-12)3-4-32/h5,9-10,12,19,32H,3-4,7-8H2,1-2H3,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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)


BindingDB Entry DOI: 10.7270/Q2GB265W
More data for this
Ligand-Target Pair