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PubMed code 27043133

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177043
PNG
(CHEMBL3814671)
Show SMILES [H][C@@]12CC[C@@]([H])(C1)[C@H](C2)n1ncc2cnc(Nc3ccc(CNC4CCN(C)CC4)cc3)nc12 |r|
Show InChI InChI=1S/C25H33N7/c1-31-10-8-21(9-11-31)26-14-17-3-6-22(7-4-17)29-25-27-15-20-16-28-32(24(20)30-25)23-13-18-2-5-19(23)12-18/h3-4,6-7,15-16,18-19,21,23,26H,2,5,8-14H2,1H3,(H,27,29,30)/t18-,19+,23+/m1/s1
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n/an/a 339n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177042
PNG
(CHEMBL3730906)
Show SMILES Cn1ccc2cc(ccc12)-c1cnc2cnc(cn12)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H17N5O/c1-26-8-7-16-10-15(5-6-19(16)26)20-11-25-21-12-24-18(13-27(20)21)14-3-2-4-17(9-14)22(23)28/h2-13H,1H3,(H2,23,28)
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n/an/a 427n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50177033
PNG
(CHEMBL3813839)
Show SMILES COc1cc(ccc1O)-c1cnn2ccc(Nc3ccc(cc3)C(C)C)nc12
Show InChI InChI=1S/C22H22N4O2/c1-14(2)15-4-7-17(8-5-15)24-21-10-11-26-22(25-21)18(13-23-26)16-6-9-19(27)20(12-16)28-3/h4-14,27H,1-3H3,(H,24,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PIP2 as substrate by HTRF assay in presence of biotin-PIP3


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177041
PNG
(CHEMBL3814491)
Show SMILES NC(=O)c1nc(nc2n(CCc3ccccc3)c(=O)[nH]c12)-c1ccc2ncccc2c1
Show InChI InChI=1S/C23H18N6O2/c24-20(30)18-19-22(29(23(31)27-19)12-10-14-5-2-1-3-6-14)28-21(26-18)16-8-9-17-15(13-16)7-4-11-25-17/h1-9,11,13H,10,12H2,(H2,24,30)(H,27,31)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50429613
PNG
(CHEMBL2334590)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccnc(N)n1
Show InChI InChI=1S/C12H10ClN5/c1-7-11(9-4-5-15-12(14)17-9)18-6-8(13)2-3-10(18)16-7/h2-6H,1H3,(H2,14,15,17)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177040
PNG
(CHEMBL3814642)
Show SMILES Clc1ccc2ncnc(NCCCc3ccccc3)c2c1
Show InChI InChI=1S/C17H16ClN3/c18-14-8-9-16-15(11-14)17(21-12-20-16)19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,19,20,21)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177039
PNG
(CHEMBL3814308)
Show SMILES C(Sc1nc(N2CCOCC2)c2sccc2n1)c1ccccc1
Show InChI InChI=1S/C17H17N3OS2/c1-2-4-13(5-3-1)12-23-17-18-14-6-11-22-15(14)16(19-17)20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50177032
PNG
(CHEMBL3814407)
Show SMILES FC(F)(F)c1cc(Nc2nc3ccccc3s2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H8F6N2S/c16-14(17,18)8-5-9(15(19,20)21)7-10(6-8)22-13-23-11-3-1-2-4-12(11)24-13/h1-7H,(H,22,23)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PIP2 as substrate by HTRF assay in presence of biotin-PIP3


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177038
PNG
(CHEMBL3814655)
Show SMILES Clc1ccc2ncnc(NCCOc3ccccc3)c2c1
Show InChI InChI=1S/C16H14ClN3O/c17-12-6-7-15-14(10-12)16(20-11-19-15)18-8-9-21-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,18,19,20)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50177031
PNG
(CHEMBL3814969)
Show SMILES COc1cncc(c1)-c1cnn2ccc(NC3CCC(O)CC3)nc12 |(5.87,-6.24,;5.57,-5.05,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;3.72,-3.12,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.72,-1.53,;-3.72,-3.07,;-5.06,-3.84,;-5.06,-5.38,;-3.73,-6.15,;-3.74,-7.38,;-2.4,-5.39,;-2.39,-3.85,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1S/C18H21N5O2/c1-25-15-8-12(9-19-10-15)16-11-20-23-7-6-17(22-18(16)23)21-13-2-4-14(24)5-3-13/h6-11,13-14,24H,2-5H2,1H3,(H,21,22)
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n/an/a 5.75E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PIP2 as substrate by HTRF assay in presence of biotin-PIP3


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50177044
PNG
(CHEMBL3814695)
Show SMILES COc1cc(Nc2ccn3ncc(-c4cccc(c4)C(N)=O)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H21N5O4/c1-29-17-10-15(11-18(30-2)20(17)31-3)25-19-7-8-27-22(26-19)16(12-24-27)13-5-4-6-14(9-13)21(23)28/h4-12H,1-3H3,(H2,23,28)(H,25,26)
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n/an/a 6.17E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PIP2 as substrate by HTRF assay in presence of biotin-PIP3


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177037
PNG
(CHEMBL3814438)
Show SMILES C(Cc1cccnc1)Nc1ccc2ncc(-c3cc4ccccc4s3)n2n1
Show InChI InChI=1S/C21H17N5S/c1-2-6-18-16(5-1)12-19(27-18)17-14-24-21-8-7-20(25-26(17)21)23-11-9-15-4-3-10-22-13-15/h1-8,10,12-14H,9,11H2,(H,23,25)
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n/an/a 6.46E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177036
PNG
(CHEMBL1528007)
Show SMILES CN(Cc1ccccc1)c1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C16H14BrN3/c1-20(10-12-5-3-2-4-6-12)16-14-9-13(17)7-8-15(14)18-11-19-16/h2-9,11H,10H2,1H3
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n/an/a 6.92E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50177045
PNG
(CHEMBL3814733)
Show SMILES COc1cc(ccc1O)-c1cnc2ccc(NCc3ccco3)nn12
Show InChI InChI=1S/C18H16N4O3/c1-24-16-9-12(4-5-15(16)23)14-11-20-18-7-6-17(21-22(14)18)19-10-13-3-2-8-25-13/h2-9,11,23H,10H2,1H3,(H,19,21)
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n/an/a 6.92E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma using PIP2 as substrate by HTRF assay in presence of biotin-PIP3


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177035
PNG
(CHEMBL3814774)
Show SMILES Cc1nn(c2CCc3cnc(N)nc3-c12)-c1ccccc1
Show InChI InChI=1S/C16H15N5/c1-10-14-13(21(20-10)12-5-3-2-4-6-12)8-7-11-9-18-16(17)19-15(11)14/h2-6,9H,7-8H2,1H3,(H2,17,18,19)
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n/an/a 8.13E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50177034
PNG
(CHEMBL3813732)
Show SMILES O=C(C1CCC=CC1)N1CCCC(C1)c1n[nH]c2ncccc12 |c:5|
Show InChI InChI=1S/C18H22N4O/c23-18(13-6-2-1-3-7-13)22-11-5-8-14(12-22)16-15-9-4-10-19-17(15)21-20-16/h1-2,4,9-10,13-14H,3,5-8,11-12H2,(H,19,20,21)
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n/an/a 8.51E+3n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu bind...


J Med Chem 59: 4302-13 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01974
BindingDB Entry DOI: 10.7270/Q2DN46ZF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%