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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 243   
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))
BDBM246889
PNG
(7-(1-(9H-purin-6- ylamino)ethyl)-6-(3- fluoropheny...)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1
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n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50004547
PNG
(CHEMBL2216863 | US10065963, Compound 28 | US104280...)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
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Patents


Similars

US Patent
n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM246891
PNG
(4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...)
Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H26ClN7O2/c1-11(31)7-29-8-14(9-29)18-19(25-4)16(23)6-15(20(18)32-5)13(3)30-22-17(12(2)28-30)21(24)26-10-27-22/h6,10-11,13-14,31H,7-9H2,1-3,5H3,(H2,24,26,27)/t11-,13?/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM246892
PNG
(4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...)
Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)
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n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM246893
PNG
(5-{3-[1-(4-amino-3- methyl-1H-pyrazolo[3,4 d]pyrim...)
Show SMILES CCOc1c(cc(C)c(C#N)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C26H28N8O2/c1-7-36-23-18(16(4)34-25-21(15(3)32-34)24(28)30-13-31-25)10-14(2)19(11-27)22(23)17-8-9-20(29-12-17)26(35)33(5)6/h8-10,12-13,16H,7H2,1-6H3,(H2,28,30,31)
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Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM246897
PNG
(1-Methyl-N-({2-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl...)
Show SMILES Cn1nccc1C(=O)NCC1(Cc2ccccc2C1)c1cccc(c1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C27H24N6O/c1-33-23(10-12-32-33)26(34)29-16-27(14-19-5-2-3-6-20(19)15-27)21-8-4-7-18(13-21)24-22-9-11-28-25(22)31-17-30-24/h2-13,17H,14-16H2,1H3,(H,29,34)(H,28,30,31)
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n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50004539
PNG
(CHEMBL2216867 | US10065963, Compound 33 | US105191...)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
Show InChI InChI=1S/C21H15ClFN7/c1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12/h2-11H,1H3,(H2,24,25,26,27,29)
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n/an/a<50n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM246896
PNG
(4-chloro-3'-fluoro-3- methyl-6-[1-(9H-purin-6-...)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c(C)c(C#N)c1-c1cccc(F)c1
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n/an/a 75n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair