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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'shukla' and Initial = 'r'   
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))
BDBM50559322
PNG
(CHEMBL4787382)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 0.890n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50168472
PNG
(CHEMBL3805348 | US9765060, Compound X)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50168472
PNG
(CHEMBL3805348 | US9765060, Compound X)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559321
PNG
(CHEMBL4754291)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cccc(C)c1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559323
PNG
(CHEMBL4794328)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559327
PNG
(CHEMBL4787659)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559341
PNG
(CHEMBL4783353)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ccc(F)c(C)n2c(=O)c1-c1ccccc1 |r|
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559330
PNG
(CHEMBL4778687)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1 |r|
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559338
PNG
(CHEMBL4752055)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(F)cc(F)c1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559324
PNG
(CHEMBL4782337)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559339
PNG
(CHEMBL4750109)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1cc(C)cc(F)c1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559319
PNG
(CHEMBL4791717)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559318
PNG
(CHEMBL4751779)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(C2CC2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559340
PNG
(CHEMBL4742973)
Show SMILES C[C@H](Nc1nc(N)ncc1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559316
PNG
(CHEMBL4750646)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(cc2)C(N)=O)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559333
PNG
(CHEMBL4755417)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1 |r|
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559326
PNG
(CHEMBL4749877)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 9.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50248768
PNG
(1,3-dibenzyl urea | CHEMBL504463)
Show SMILES O=C(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
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n/an/a 10n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in rat DRG neuron assessed as inhibition of calcium uptake


Eur J Med Chem 44: 432-6 (2008)


Article DOI: 10.1016/j.ejmech.2007.12.018
BindingDB Entry DOI: 10.7270/Q2FX797G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50559315
PNG
(CHEMBL4800682)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(O)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha in human MDA-MB-453 cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559317
PNG
(CHEMBL4749521)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccccc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50512869
PNG
(CHEMBL4463183)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
Show InChI InChI=1S/C29H22F2N6O/c1-16-22(14-32)27(36-29(33)35-16)34-17(2)24-25(19-8-10-20(30)11-9-19)23-13-12-21(31)15-37(23)28(38)26(24)18-6-4-3-5-7-18/h3-13,15,17H,1-2H3,(H3,33,34,35,36)/t17-/m0/s1
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559331
PNG
(CHEMBL4748330)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1C1CC1 |r|
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559335
PNG
(CHEMBL4792005)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cccc(F)c1 |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559329
PNG
(CHEMBL4795389)
Show SMILES COc1ccc(cc1)-c1c([C@H](C)Nc2nc(N)nc(N)c2C#N)c(-c2ccccc2)c(=O)n2cc(F)ccc12 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559334
PNG
(CHEMBL4749578)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1cc(F)cc(F)c1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50168472
PNG
(CHEMBL3805348 | US9765060, Compound X)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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TBA

Assay Description
Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50059637
PNG
(GSK-2636771 | GSK2636771 | US10660898, Example 31)
Show SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559336
PNG
(CHEMBL4748043)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50559315
PNG
(CHEMBL4800682)
Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(O)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50559327
PNG
(CHEMBL4787659)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559337
PNG
(CHEMBL4742693)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc(=O)n2cc(F)ccc2c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50168472
PNG
(CHEMBL3805348 | US9765060, Compound X)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C21H16ClN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-15-9-5-8-14(22)16(15)21(30)29(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50059637
PNG
(GSK-2636771 | GSK2636771 | US10660898, Example 31)
Show SMILES Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559328
PNG
(CHEMBL4784743)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(C)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50559316
PNG
(CHEMBL4750646)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(cc2)C(N)=O)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha in human MDA-MB-453 cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50559323
PNG
(CHEMBL4794328)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50512869
PNG
(CHEMBL4463183)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
Show InChI InChI=1S/C29H22F2N6O/c1-16-22(14-32)27(36-29(33)35-16)34-17(2)24-25(19-8-10-20(30)11-9-19)23-13-12-21(31)15-37(23)28(38)26(24)18-6-4-3-5-7-18/h3-13,15,17H,1-2H3,(H3,33,34,35,36)/t17-/m0/s1
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TBA

Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50512869
PNG
(CHEMBL4463183)
Show SMILES C[C@H](Nc1nc(N)nc(C)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
Show InChI InChI=1S/C29H22F2N6O/c1-16-22(14-32)27(36-29(33)35-16)34-17(2)24-25(19-8-10-20(30)11-9-19)23-13-12-21(31)15-37(23)28(38)26(24)18-6-4-3-5-7-18/h3-13,15,17H,1-2H3,(H3,33,34,35,36)/t17-/m0/s1
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TBA

Assay Description
Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50559332
PNG
(CHEMBL4797361)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1c(C)c(=O)n2cc(F)ccc2c1-c1ccc(F)cc1 |r|
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n/an/a 114n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50559327
PNG
(CHEMBL4787659)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2cccc(C)n2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Mus musculus (Mouse))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50559326
PNG
(CHEMBL4749877)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50559323
PNG
(CHEMBL4794328)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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TBA

Assay Description
Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 242n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50559323
PNG
(CHEMBL4794328)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1cc2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
PDB
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PC cid
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UniChem
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n/an/a 371n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha in human MDA-MB-453 cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50559325
PNG
(CHEMBL4756563)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1c(-c2ccc(F)cc2)c2ccc(F)cn2c(=O)c1-c1ccccc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 377n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01264
BindingDB Entry DOI: 10.7270/Q2RN3CJV
More data for this
Ligand-Target Pair
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