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SMILES: COc1c(cc(Cl)c(C)c1C1CN(C1)C(O)C(F)(F)F)C(C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=SIWGQKSARWBSPI-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 = 261086   
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))
BDBM261086
PNG
(3-(3-{3-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]py...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(O)C(F)(F)F)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H24ClF3N6O2/c1-9-14(22)5-13(11(3)31-19-16(10(2)29-31)18(26)27-8-28-19)17(33-4)15(9)12-6-30(7-12)20(32)21(23,24)25/h5,8,11-12,20,32H,6-7H2,1-4H3,(H2,26,27,28)
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<10n/an/an/an/an/an/a


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta/delta isoform


(Homo sapiens (Human))
BDBM261086
PNG
(3-(3-{3-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]py...)
Show SMILES COc1c(cc(Cl)c(C)c1C1CN(C1)C(O)C(F)(F)F)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H24ClF3N6O2/c1-9-14(22)5-13(11(3)31-19-16(10(2)29-31)18(26)27-8-28-19)17(33-4)15(9)12-6-30(7-12)20(32)21(23,24)25/h5,8,11-12,20,32H,6-7H2,1-4H3,(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
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
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