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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM342524'   
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))
BDBM342524
PNG
(US10329299, Compound 75 | US10675286, Compound 75 ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3scnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H21N7O2S/c1-18(34-29(38)26-27(31)35-36-15-7-14-32-28(26)36)23-16-21-9-6-8-20(12-13-24-19(2)33-17-40-24)25(21)30(39)37(23)22-10-4-3-5-11-22/h3-11,14-18H,1-2H3,(H,34,38)/t18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


US Patent US10675286 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G4R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM342524
PNG
(US10329299, Compound 75 | US10675286, Compound 75 ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3scnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H21N7O2S/c1-18(34-29(38)26-27(31)35-36-15-7-14-32-28(26)36)23-16-21-9-6-8-20(12-13-24-19(2)33-17-40-24)25(21)30(39)37(23)22-10-4-3-5-11-22/h3-11,14-18H,1-2H3,(H,34,38)/t18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
PI3 Kinase α, β, γ or δ activity was assayed using the PI3 Kinase HTRF® assay kit (catalogue No. 33-016) purchased from Millipore...


Citation and Details

BindingDB Entry DOI: 10.7270/Q25T3QBR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM342524
PNG
(US10329299, Compound 75 | US10675286, Compound 75 ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3scnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H21N7O2S/c1-18(34-29(38)26-27(31)35-36-15-7-14-32-28(26)36)23-16-21-9-6-8-20(12-13-24-19(2)33-17-40-24)25(21)30(39)37(23)22-10-4-3-5-11-22/h3-11,14-18H,1-2H3,(H,34,38)/t18-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd



Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


Bioorg Med Chem 17: 6567-82 (2009)


BindingDB Entry DOI: 10.7270/Q2KK9F5S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM342524
PNG
(US10329299, Compound 75 | US10675286, Compound 75 ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3scnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H21N7O2S/c1-18(34-29(38)26-27(31)35-36-15-7-14-32-28(26)36)23-16-21-9-6-8-20(12-13-24-19(2)33-17-40-24)25(21)30(39)37(23)22-10-4-3-5-11-22/h3-11,14-18H,1-2H3,(H,34,38)/t18-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM342524
PNG
(US10329299, Compound 75 | US10675286, Compound 75 ...)
Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3scnc3C)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C30H21N7O2S/c1-18(34-29(38)26-27(31)35-36-15-7-14-32-28(26)36)23-16-21-9-6-8-20(12-13-24-19(2)33-17-40-24)25(21)30(39)37(23)22-10-4-3-5-11-22/h3-11,14-18H,1-2H3,(H,34,38)/t18-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A compound's ability in selectively inhibiting PI3K-δ can be assessed using RAJI cells, i.e., B lymphocyte cells derived from lymphoma patie...


US Patent US10675286 (2020)


BindingDB Entry DOI: 10.7270/Q2RX9G4R
More data for this
Ligand-Target Pair