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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM255803'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM255803
PNG
(5-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN7O2/c1-7-35-22-17(15(4)33-24-21(14(3)31-33)23(27)29-12-30-24)10-18(26)13(2)20(22)16-8-9-19(28-11-16)25(34)32(5)6/h8-12,15H,7H2,1-6H3,(H2,27,29,30)
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/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)

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


(Homo sapiens (Human))
BDBM255803
PNG
(5-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN7O2/c1-7-35-22-17(15(4)33-24-21(14(3)31-33)23(27)29-12-30-24)10-18(26)13(2)20(22)16-8-9-19(28-11-16)25(34)32(5)6/h8-12,15H,7H2,1-6H3,(H2,27,29,30)
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))
BDBM255803
PNG
(5-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN7O2/c1-7-35-22-17(15(4)33-24-21(14(3)31-33)23(27)29-12-30-24)10-18(26)13(2)20(22)16-8-9-19(28-11-16)25(34)32(5)6/h8-12,15H,7H2,1-6H3,(H2,27,29,30)
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))
BDBM255803
PNG
(5-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN7O2/c1-7-35-22-17(15(4)33-24-21(14(3)31-33)23(27)29-12-30-24)10-18(26)13(2)20(22)16-8-9-19(28-11-16)25(34)32(5)6/h8-12,15H,7H2,1-6H3,(H2,27,29,30)
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/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)

More data for this
Ligand-Target Pair