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PubMed code 27994757

Compile data set for download or QSAR
Found 41 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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a<0.5n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201717
PNG
(CHEMBL3907591)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H15F2N5O/c21-14-7-12(8-15(28)17(14)22)18-16-19(23)24-9-25-20(16)27(26-18)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,28H,5-6H2,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201728
PNG
(CHEMBL3914552)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16ClN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201716
PNG
(CHEMBL3942550)
Show SMILES Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
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n/an/a 7n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201720
PNG
(CHEMBL3896635)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16FN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24)
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n/an/a 8n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201721
PNG
(CHEMBL3964073)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
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n/an/a 8n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50388180
PNG
(CHEMBL2057912)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25)
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n/an/a 8.20n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201723
PNG
(CHEMBL3905578)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1
Show InChI InChI=1S/C21H18FN5O/c22-15-7-14(9-17(28)10-15)19-18-20(23)24-11-25-21(18)27(26-19)16-6-5-12-3-1-2-4-13(12)8-16/h1-4,7,9-11,16,28H,5-6,8H2,(H2,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201721
PNG
(CHEMBL3964073)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201727
PNG
(CHEMBL3924678)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12
Show InChI InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201729
PNG
(CHEMBL3923573)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16ClN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201726
PNG
(CHEMBL3897842)
Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28)
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n/an/a 16n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201718
PNG
(CHEMBL3925929)
Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29)
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n/an/a 19n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201726
PNG
(CHEMBL3897842)
Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28)
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n/an/a 24n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201717
PNG
(CHEMBL3907591)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)c(F)c(F)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H15F2N5O/c21-14-7-12(8-15(28)17(14)22)18-16-19(23)24-9-25-20(16)27(26-18)13-5-10-3-1-2-4-11(10)6-13/h1-4,7-9,13,28H,5-6H2,(H2,23,24,25)
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n/an/a 27n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201726
PNG
(CHEMBL3897842)
Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28)
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n/an/a 32n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201724
PNG
(CHEMBL3983045)
Show SMILES COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O2/c1-28-17-7-6-14(10-16(17)27)19-18-20(22)23-11-24-21(18)26(25-19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,27H,8-9H2,1H3,(H2,22,23,24)
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n/an/a 32n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 33n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201729
PNG
(CHEMBL3923573)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)c(O)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16ClN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
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n/an/a 33n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201725
PNG
(CHEMBL3948373)
Show SMILES Nc1ncnc2n(nc(-c3cc(F)c4OCCNc4c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H19FN6O/c23-16-9-14(10-17-20(16)30-6-5-25-17)19-18-21(24)26-11-27-22(18)29(28-19)15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15,25H,5-8H2,(H2,24,26,27)
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n/an/a 35n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201719
PNG
(CHEMBL3957821)
Show SMILES Cc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O/c1-12-6-7-15(10-17(12)27)19-18-20(22)23-11-24-21(18)26(25-19)16-8-13-4-2-3-5-14(13)9-16/h2-7,10-11,16,27H,8-9H2,1H3,(H2,22,23,24)
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n/an/a 43n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201726
PNG
(CHEMBL3897842)
Show SMILES Nc1ccc2CC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28)
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n/an/a 47n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201718
PNG
(CHEMBL3925929)
Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29)
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n/an/a 55n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201716
PNG
(CHEMBL3942550)
Show SMILES Nc1ncnc2n(nc(-c3ccc(F)c(O)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16FN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24)
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n/an/a 61n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201720
PNG
(CHEMBL3896635)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16FN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24)
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n/an/a 67n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201718
PNG
(CHEMBL3925929)
Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29)
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n/an/a 72n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201724
PNG
(CHEMBL3983045)
Show SMILES COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O2/c1-28-17-7-6-14(10-16(17)27)19-18-20(22)23-11-24-21(18)26(25-19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,27H,8-9H2,1H3,(H2,22,23,24)
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n/an/a 84n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201723
PNG
(CHEMBL3905578)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1
Show InChI InChI=1S/C21H18FN5O/c22-15-7-14(9-17(28)10-15)19-18-20(23)24-11-25-21(18)27(26-19)16-6-5-12-3-1-2-4-13(12)8-16/h1-4,7,9-11,16,28H,5-6,8H2,(H2,23,24,25)
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n/an/a 86n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201725
PNG
(CHEMBL3948373)
Show SMILES Nc1ncnc2n(nc(-c3cc(F)c4OCCNc4c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H19FN6O/c23-16-9-14(10-17-20(16)30-6-5-25-17)19-18-21(24)26-11-27-22(18)29(28-19)15-7-12-3-1-2-4-13(12)8-15/h1-4,9-11,15,25H,5-8H2,(H2,24,26,27)
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n/an/a 104n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201728
PNG
(CHEMBL3914552)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1
Show InChI InChI=1S/C20H16ClN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(H2,22,23,24)
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n/an/a 142n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201719
PNG
(CHEMBL3957821)
Show SMILES Cc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O/c1-12-6-7-15(10-17(12)27)19-18-20(22)23-11-24-21(18)26(25-19)16-8-13-4-2-3-5-14(13)9-16/h2-7,10-11,16,27H,8-9H2,1H3,(H2,22,23,24)
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n/an/a 172n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201718
PNG
(CHEMBL3925929)
Show SMILES Nc1ccc2CCC(Cc2c1)n1nc(-c2cc(F)c3OCCNc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H22FN7O/c24-17-9-14(10-18-21(17)32-6-5-27-18)20-19-22(26)28-11-29-23(19)31(30-20)16-4-2-12-1-3-15(25)7-13(12)8-16/h1,3,7,9-11,16,27H,2,4-6,8,25H2,(H2,26,28,29)
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n/an/a 176n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201727
PNG
(CHEMBL3924678)
Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12
Show InChI InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(H2,22,23,24)
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n/an/a 217n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201715
PNG
(CHEMBL3920744)
Show SMILES COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc23)c2ncnc(N)c12
Show InChI InChI=1S/C21H18FN5O/c1-28-15-9-13(8-14(22)10-15)19-18-20(23)24-11-25-21(18)27(26-19)17-7-6-12-4-2-3-5-16(12)17/h2-5,8-11,17H,6-7H2,1H3,(H2,23,24,25)
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n/an/a 584n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201730
PNG
(CHEMBL3892739)
Show SMILES COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C22H20FN5O/c1-29-18-10-15(8-16(23)11-18)20-19-21(24)25-12-26-22(19)28(27-20)17-7-6-13-4-2-3-5-14(13)9-17/h2-5,8,10-12,17H,6-7,9H2,1H3,(H2,24,25,26)
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n/an/a 891n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201730
PNG
(CHEMBL3892739)
Show SMILES COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C22H20FN5O/c1-29-18-10-15(8-16(23)11-18)20-19-21(24)25-12-26-22(19)28(27-20)17-7-6-13-4-2-3-5-14(13)9-17/h2-5,8,10-12,17H,6-7,9H2,1H3,(H2,24,25,26)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201715
PNG
(CHEMBL3920744)
Show SMILES COc1cc(F)cc(c1)-c1nn(C2CCc3ccccc23)c2ncnc(N)c12
Show InChI InChI=1S/C21H18FN5O/c1-28-15-9-13(8-14(22)10-15)19-18-20(23)24-11-25-21(18)27(26-19)17-7-6-12-4-2-3-5-16(12)17/h2-5,8-11,17H,6-7H2,1H3,(H2,23,24,25)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50201722
PNG
(CHEMBL3977335)
Show SMILES COc1cc(F)cc(c1)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C21H18FN5O/c1-28-17-9-14(6-15(22)10-17)19-18-20(23)24-11-25-21(18)27(26-19)16-7-12-4-2-3-5-13(12)8-16/h2-6,9-11,16H,7-8H2,1H3,(H2,23,24,25)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (human))
BDBM50201722
PNG
(CHEMBL3977335)
Show SMILES COc1cc(F)cc(c1)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
Show InChI InChI=1S/C21H18FN5O/c1-28-17-9-14(6-15(22)10-17)19-18-20(23)24-11-25-21(18)27(26-19)16-7-12-4-2-3-5-13(12)8-16/h2-6,9-11,16H,7-8H2,1H3,(H2,23,24,25)
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n/an/a 2.79E+3n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay


ACS Med Chem Lett 7: 1161-1166 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00356
BindingDB Entry DOI: 10.7270/Q29K4D6F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%