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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50012823   
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))
BDBM50560691
PNG
(CHEMBL4788952)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CC3)cc2n1
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560700
PNG
(CHEMBL4787716)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)S(=O)(=O)C3CC3)cc2n1
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560692
PNG
(CHEMBL4752490)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCC3)cc2n1
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560685
PNG
(CHEMBL4743492)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(=O)CC3)cc2n1
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560684
PNG
(CHEMBL4788725)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC=C)CC3=O)cc2n1
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560693
PNG
(CHEMBL4762689)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCCC3)cc2n1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560666
PNG
(CHEMBL4750636)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCCC4)C(=O)C3)cc2n1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560667
PNG
(CHEMBL4796048)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN([C@H]4CC[C@H](O)CC4)C(=O)C3)cc2n1 |r,wU:28.30,wD:31.34,(54.67,-34.34,;53.21,-34.82,;52.06,-33.78,;50.55,-34.1,;49.79,-32.77,;48.29,-32.45,;47.81,-31,;48.84,-29.85,;50.34,-30.17,;50.82,-31.63,;52.22,-32.25,;53.56,-31.48,;53.56,-29.94,;54.89,-29.17,;54.89,-27.63,;56.23,-26.86,;56.23,-25.33,;54.89,-24.55,;53.56,-25.33,;53.56,-26.87,;56.23,-29.93,;57.69,-29.44,;58.61,-30.69,;60.15,-30.68,;60.91,-29.34,;60.13,-28.02,;60.9,-26.68,;62.45,-26.68,;63.21,-25.35,;62.43,-24.02,;63.21,-22.68,;64.75,-22.68,;65.52,-21.35,;65.52,-24.02,;64.75,-25.35,;63.22,-28.01,;64.76,-28.01,;62.46,-29.34,;57.71,-31.94,;56.24,-31.47,;54.89,-32.25,)|
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560671
PNG
(CHEMBL4741654)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4nccs4)C(=O)C3)cc2n1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560672
PNG
(CHEMBL4799262)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)C3)c3cccnc3)cc2n1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560683
PNG
(CHEMBL4762501)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC4(CC3)OCCO4)cc2n1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560697
PNG
(CHEMBL4783917)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)S(C)(=O)=O)cc2n1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560665
PNG
(CHEMBL4786126)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)C(=O)C3)cc2n1
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged PI3Kdelta expressed in baculovirus expression system using PIP2:PS as substrate incubated for 1 hr by invi...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560677
PNG
(CHEMBL4753342)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCCC3)cc2n1
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560694
PNG
(CHEMBL4797595)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCCCC3)cc2n1
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560690
PNG
(CHEMBL4783142)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(C)=O)cc2n1
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560670
PNG
(CHEMBL4761003)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(c4cnn(C)c4)C(=O)C3)cc2n1
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560699
PNG
(CHEMBL4764973)
Show SMILES CCCS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2c(CC)nc3ccccc23)C(=O)C1
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560689
PNG
(CHEMBL4791430)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)[C@H](C)O)cc2n1 |r|
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560682
PNG
(CHEMBL4764632)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(F)(F)CC3)cc2n1
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560663
PNG
(CHEMBL4747763)
Show SMILES CCN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2c(CC)nc3ccccc23)CC1=O
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50394895
PNG
(CHEMBL2165500)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Show InChI InChI=1S/C25H31N7O3S2/c1-3-22-26-19-6-4-5-7-21(19)32(22)25-27-20-16-18(17-29-8-10-31(11-9-29)37(2,33)34)36-23(20)24(28-25)30-12-14-35-15-13-30/h4-7,16H,3,8-15,17H2,1-2H3
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560698
PNG
(CHEMBL4800610)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)S(=O)(=O)CC)cc2n1
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560675
PNG
(CHEMBL4759104)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(C)C)cc2n1
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560701
PNG
(CHEMBL4784160)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(=O)(=O)C3CC3)cc2n1
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560681
PNG
(CHEMBL4798399)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCSCC3)cc2n1
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560662
PNG
(CHEMBL4792029)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C)C(=O)C3)cc2n1
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560664
PNG
(CHEMBL4791401)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4CCC(O)CC4)C(=O)C3)cc2n1 |(76.28,-14.83,;74.81,-15.3,;73.67,-14.27,;72.16,-14.59,;71.39,-13.25,;69.9,-12.94,;69.42,-11.49,;70.45,-10.34,;71.95,-10.66,;72.42,-12.12,;73.83,-12.74,;75.17,-11.97,;75.17,-10.42,;76.5,-9.65,;76.5,-8.12,;77.83,-7.35,;77.83,-5.81,;76.5,-5.04,;75.16,-5.81,;75.16,-7.36,;77.83,-10.42,;79.3,-9.93,;80.21,-11.17,;81.75,-11.16,;82.51,-9.83,;81.74,-8.51,;82.51,-7.17,;84.05,-7.16,;84.82,-5.83,;86.37,-5.83,;87.13,-4.51,;86.37,-3.17,;87.14,-1.84,;84.83,-3.17,;84.05,-4.5,;84.82,-8.5,;86.36,-8.49,;84.06,-9.83,;79.31,-12.43,;77.84,-11.96,;76.5,-12.74,)|
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560688
PNG
(CHEMBL4761019)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)CC3=O)cc2n1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560680
PNG
(CHEMBL4743060)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCOCC3)cc2n1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560676
PNG
(CHEMBL4755371)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3=O)cc2n1
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560695
PNG
(CHEMBL4753343)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C=C)cc2n1
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560668
PNG
(CHEMBL4797140)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(N)=O)C(=O)C3)cc2n1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560678
PNG
(CHEMBL4761223)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCCCC3)cc2n1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560696
PNG
(CHEMBL4764431)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)OC(C)(C)C)cc2n1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560674
PNG
(CHEMBL4764816)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(F)(F)F)CC3=O)cc2n1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560687
PNG
(CHEMBL4761579)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(CC3)N3CCCC3)cc2n1 |(54.97,-16.71,;53.5,-17.18,;52.36,-16.15,;50.85,-16.47,;50.08,-15.13,;48.58,-14.81,;48.1,-13.36,;49.13,-12.2,;50.64,-12.52,;51.11,-13.99,;52.52,-14.61,;53.87,-13.84,;53.87,-12.29,;55.2,-11.52,;55.2,-9.98,;56.53,-9.2,;56.53,-7.66,;55.2,-6.89,;53.86,-7.66,;53.86,-9.21,;56.54,-12.28,;58,-11.8,;58.92,-13.04,;60.47,-13.04,;61.23,-11.69,;60.46,-10.37,;61.23,-9.03,;62.77,-9.02,;63.55,-10.36,;62.79,-11.7,;63.56,-13.03,;63.54,-7.69,;65.08,-7.69,;65.85,-6.36,;65.08,-5.03,;63.54,-5.03,;62.77,-6.37,;65.85,-3.7,;67.38,-3.54,;67.69,-2.03,;66.36,-1.28,;65.22,-2.29,;58.02,-14.3,;56.54,-13.83,;55.21,-14.61,)|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560686
PNG
(CHEMBL4781154)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCC(CC3)N(C)C)cc2n1 |(30.34,-16.39,;28.87,-16.86,;27.73,-15.83,;26.22,-16.15,;25.45,-14.81,;23.95,-14.5,;23.47,-13.04,;24.5,-11.88,;26.01,-12.2,;26.48,-13.67,;27.89,-14.3,;29.24,-13.52,;29.24,-11.97,;30.57,-11.2,;30.57,-9.66,;31.91,-8.88,;31.9,-7.35,;30.57,-6.57,;29.23,-7.35,;29.23,-8.89,;31.91,-11.96,;33.38,-11.48,;34.3,-12.73,;35.84,-12.72,;36.6,-11.37,;35.83,-10.05,;36.6,-8.71,;38.14,-8.7,;38.92,-10.04,;38.16,-11.38,;38.93,-12.72,;38.91,-7.37,;40.45,-7.37,;41.22,-6.05,;40.45,-4.71,;38.91,-4.71,;38.14,-6.05,;41.22,-3.38,;42.76,-3.38,;40.45,-2.05,;33.39,-13.98,;31.91,-13.51,;30.58,-14.3,)|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560669
PNG
(CHEMBL4743956)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC(=O)N4CCOCC4)C(=O)C3)cc2n1
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560679
PNG
(CHEMBL4789467)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C3CCN(C)CC3)cc2n1
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560661
PNG
(CHEMBL4758487)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCNC(=O)C3)cc2n1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560702
PNG
(CHEMBL4755435)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C3CCCC3)cc2n1
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50560673
PNG
(CHEMBL4753485)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C)CC3=O)cc2n1
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n/an/a 82n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kdelta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50560691
PNG
(CHEMBL4788952)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CC3)cc2n1
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50403068
PNG
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 89n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged PI3Kgamma expressed in baculovirus expression system using PIP2:PS as substrate incubated for 1 hr by invi...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50560692
PNG
(CHEMBL4752490)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCC3)cc2n1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 117n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kalpha (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50560691
PNG
(CHEMBL4788952)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CC3)cc2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 137n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50560692
PNG
(CHEMBL4752490)
Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3=O)C(=O)C3CCC3)cc2n1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 165n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PI3Kbeta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127479
BindingDB Entry DOI: 10.7270/Q2MG7T7R
More data for this
Ligand-Target Pair
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