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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50048085   
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 alpha isoform


(Homo sapiens (Human))
BDBM50204093
PNG
(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|
Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
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n/an/a 0.5n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204093
PNG
(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|
Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
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n/an/a 0.700n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204093
PNG
(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|
Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
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n/an/a 3.70n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha/p85 iSH2 domain (unknown origin) expressed in baculovirus using l-alpha-phosphatidylinositol as substrate after 60 mins by ki...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 5n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204093
PNG
(BAY 80-6946 | BAY-80-6946 | Copanlisib)
Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|
Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
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n/an/a 6.40n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 7n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204104
PNG
(CHEMBL3979323)
Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by ap...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM119531
PNG
(US11547697, Compound 529 | US9682141, 529 | US9682...)
Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
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n/an/a 15n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin)


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 21n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) expressed in baculovirus after 60 mins by kinase-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 76n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 60 mins by k...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204104
PNG
(CHEMBL3979323)
Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by a...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204097
PNG
(CHEMBL3919405)
Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26)
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n/an/a 115n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204094
PNG
(CHEMBL3974237)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1
Show InChI InChI=1S/C25H17N5/c26-12-11-17-5-8-20(9-6-17)30-25-22-13-18(7-10-24(22)28-16-29-25)23-15-27-14-19-3-1-2-4-21(19)23/h1-10,13-16H,11H2,(H,28,29,30)
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n/an/a 150n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204100
PNG
(CHEMBL3890572)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28)
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n/an/a 150n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204092
PNG
(CHEMBL3978826)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H16N4O2/c24-10-9-15-1-5-18(6-2-15)27-23-19-11-16(3-7-20(19)25-13-26-23)17-4-8-21-22(12-17)29-14-28-21/h1-8,11-13H,9,14H2,(H,25,26,27)
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n/an/a 190n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204102
PNG
(CHEMBL3962279)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C24H17N5/c25-11-9-16-1-5-20(6-2-16)29-24-21-14-18(4-8-23(21)27-15-28-24)17-3-7-22-19(13-17)10-12-26-22/h1-8,10,12-15,26H,9H2,(H,27,28,29)
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n/an/a 201n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204100
PNG
(CHEMBL3890572)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28)
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n/an/a 270n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204097
PNG
(CHEMBL3919405)
Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26)
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n/an/a 270n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204092
PNG
(CHEMBL3978826)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C23H16N4O2/c24-10-9-15-1-5-18(6-2-15)27-23-19-11-16(3-7-20(19)25-13-26-23)17-4-8-21-22(12-17)29-14-28-21/h1-8,11-13H,9,14H2,(H,25,26,27)
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n/an/a 321n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
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n/an/a 342n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204099
PNG
(CHEMBL3953521)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccncc2)cc1
Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26)
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n/an/a 360n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204096
PNG
(CHEMBL3894691)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26)
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n/an/a 451n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204103
PNG
(CHEMBL3937311)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26)
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n/an/a 475n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204101
PNG
(CHEMBL3942049)
Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)
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n/an/a 520n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204097
PNG
(CHEMBL3919405)
Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26)
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n/an/a 670n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204099
PNG
(CHEMBL3953521)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccncc2)cc1
Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26)
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n/an/a 704n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204102
PNG
(CHEMBL3962279)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C24H17N5/c25-11-9-16-1-5-20(6-2-16)29-24-21-14-18(4-8-23(21)27-15-28-24)17-3-7-22-19(13-17)10-12-26-22/h1-8,10,12-15,26H,9H2,(H,27,28,29)
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n/an/a 750n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204096
PNG
(CHEMBL3894691)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26)
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n/an/a 850n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204104
PNG
(CHEMBL3979323)
Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by a...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204094
PNG
(CHEMBL3974237)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1
Show InChI InChI=1S/C25H17N5/c26-12-11-17-5-8-20(9-6-17)30-25-22-13-18(7-10-24(22)28-16-29-25)23-15-27-14-19-3-1-2-4-21(19)23/h1-10,13-16H,11H2,(H,28,29,30)
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n/an/a 880n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204104
PNG
(CHEMBL3979323)
Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by a...


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
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n/an/a 1.37E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204097
PNG
(CHEMBL3919405)
Show SMILES Oc1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H16N4O/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(27)12-16/h1-9,12-14,27H,10H2,(H,24,25,26)
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n/an/a 1.84E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM119531
PNG
(US11547697, Compound 529 | US9682141, 529 | US9682...)
Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin)


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM119531
PNG
(US11547697, Compound 529 | US9682141, 529 | US9682...)
Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1
Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
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n/an/a 4.50E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin)


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204103
PNG
(CHEMBL3937311)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26)
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n/an/a 6.95E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50204094
PNG
(CHEMBL3974237)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2cncc3ccccc23)cc1
Show InChI InChI=1S/C25H17N5/c26-12-11-17-5-8-20(9-6-17)30-25-22-13-18(7-10-24(22)28-16-29-25)23-15-27-14-19-3-1-2-4-21(19)23/h1-10,13-16H,11H2,(H,28,29,30)
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n/an/a 8.44E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50204101
PNG
(CHEMBL3942049)
Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204100
PNG
(CHEMBL3890572)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204101
PNG
(CHEMBL3942049)
Show SMILES C=Cc1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4/c1-2-17-3-7-19(8-4-17)20-9-12-23-22(15-20)24(27-16-26-23)28-21-10-5-18(6-11-21)13-14-25/h2-12,15-16H,1,13H2,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204096
PNG
(CHEMBL3894691)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204099
PNG
(CHEMBL3953521)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccncc2)cc1
Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204100
PNG
(CHEMBL3890572)
Show SMILES CC(=O)c1ccc(cc1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C24H18N4O/c1-16(29)18-4-6-19(7-5-18)20-8-11-23-22(14-20)24(27-15-26-23)28-21-9-2-17(3-10-21)12-13-25/h2-11,14-15H,12H2,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204103
PNG
(CHEMBL3937311)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50204096
PNG
(CHEMBL3894691)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc2ncnc(Nc3ccc(CC#N)cc3)c2c1
Show InChI InChI=1S/C22H15N5O2/c23-11-10-15-4-7-18(8-5-15)26-22-20-13-17(6-9-21(20)24-14-25-22)16-2-1-3-19(12-16)27(28)29/h1-9,12-14H,10H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204103
PNG
(CHEMBL3937311)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C22H16N4/c23-13-12-16-6-9-19(10-7-16)26-22-20-14-18(17-4-2-1-3-5-17)8-11-21(20)24-15-25-22/h1-11,14-15H,12H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204099
PNG
(CHEMBL3953521)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccncc2)cc1
Show InChI InChI=1S/C21H15N5/c22-10-7-15-1-4-18(5-2-15)26-21-19-13-17(16-8-11-23-12-9-16)3-6-20(19)24-14-25-21/h1-6,8-9,11-14H,7H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50204095
PNG
(CHEMBL3899361)
Show SMILES N#CCc1ccc(Nc2ncnc3ccc(cc23)-c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C24H18N4O2/c25-10-9-16-1-5-19(6-2-16)28-24-20-13-17(3-7-21(20)26-15-27-24)18-4-8-22-23(14-18)30-12-11-29-22/h1-8,13-15H,9,11-12H2,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay


Eur J Med Chem 122: 731-743 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.006
BindingDB Entry DOI: 10.7270/Q2KS6TJ6
More data for this
Ligand-Target Pair
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