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Compile Data Set for Download or QSAR

Found 6569 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform'   
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))
BDBM288352
PNG
(US10087187, Compound 42)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc2CCNCc12)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C23H26N8O/c1-15-22(28-19-4-2-3-16-5-6-24-12-18(16)19)31-23(27-15)17(20-13-25-14-26-20)11-21(29-31)30-7-9-32-10-8-30/h2-4,11,13-14,24,28H,5-10,12H2,1H3,(H,25,26)
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n/an/an/a 5n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/an/a 5n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CD kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288366
PNG
(US10087187, Compound 57)
Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(cc(nn34)N3CCOCC3)-c3c[nH]cn3)cccc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H32F3N9O/c1-18-25(34-22-5-3-4-21(27(28,29)30)20(22)16-37-8-6-36(2)7-9-37)39-26(33-18)19(23-15-31-17-32-23)14-24(35-39)38-10-12-40-13-11-38/h3-5,14-15,17,34H,6-13,16H2,1-2H3,(H,31,32)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288364
PNG
(US10087187, Compound 55 | US10087187, Compound 56)
Show SMILES CC(CO)NCc1c(Nc2c(C)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288368
PNG
(US10087187, Compound 59)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C1CCNCC1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O/c1-14-21(33-22(29-14)17(27)13-19(31-33)32-9-11-34-12-10-32)30-18-4-2-3-16(23(24,25)26)20(18)15-5-7-28-8-6-15/h2-4,13,15,28,30H,5-12,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200968
PNG
(CHEMBL3983623 | US10087187, Compound 46)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200968
PNG
(CHEMBL3983623 | US10087187, Compound 46)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H27F3N8O2/c1-15-23(32-20-4-2-3-19(25(26,27)28)18(20)13-34-11-16(37)12-34)36-24(31-15)17(21-10-29-14-30-21)9-22(33-36)35-5-7-38-8-6-35/h2-4,9-10,14,16,32,37H,5-8,11-13H2,1H3,(H,29,30)
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n/an/an/a 11n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288351
PNG
(US10087187, Compound 41)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C26H29F3N8O2/c1-17-24(33-21-4-2-3-20(26(27,28)29)19(21)15-35-5-9-38-10-6-35)37-25(32-17)18(22-14-30-16-31-22)13-23(34-37)36-7-11-39-12-8-36/h2-4,13-14,16,33H,5-12,15H2,1H3,(H,30,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288348
PNG
(US10087187, Compound 38)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCOCC1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O2/c1-15-21(33-22(28-15)18(27)13-20(30-33)32-7-11-35-12-8-32)29-19-4-2-3-17(23(24,25)26)16(19)14-31-5-9-34-10-6-31/h2-4,13,29H,5-12,14,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288369
PNG
(US10087187, Compound 60)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(C)c1C1CCNCC1)N1CCOCC1
Show InChI InChI=1S/C23H31N7O/c1-15-4-3-5-19(21(15)17-6-8-25-9-7-17)27-22-16(2)26-23-18(24)14-20(28-30(22)23)29-10-12-31-13-11-29/h3-5,14,17,25,27H,6-13,24H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288364
PNG
(US10087187, Compound 55 | US10087187, Compound 56)
Show SMILES CC(CO)NCc1c(Nc2c(C)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 17n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CD kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288376
PNG
(US10087187, Compound 67)
Show SMILES Cc1c(Cl)cccc1Nc1c(CO)nc2c(cc(nn12)N1CCOCC1)-c1c[nH]cn1
Show InChI InChI=1S/C21H22ClN7O2/c1-13-15(22)3-2-4-16(13)25-21-18(11-30)26-20-14(17-10-23-12-24-17)9-19(27-29(20)21)28-5-7-31-8-6-28/h2-4,9-10,12,25,30H,5-8,11H2,1H3,(H,23,24)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200978
PNG
(CHEMBL3956037 | US10087187, Compound 58)
Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200978
PNG
(CHEMBL3956037 | US10087187, Compound 58)
Show SMILES CN1CCN(Cc2c(Nc3c(C)nc4c(N)cc(nn34)N3CCOCC3)cccc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H31F3N8O/c1-16-22(35-23(29-16)19(28)14-21(31-35)34-10-12-36-13-11-34)30-20-5-3-4-18(24(25,26)27)17(20)15-33-8-6-32(2)7-9-33/h3-5,14,30H,6-13,15,28H2,1-2H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288380
PNG
(US10087187, Compound 73)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1C1CCN(CCO)CC1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C25H32F3N7O2/c1-16-23(35-24(30-16)19(29)15-21(32-35)34-10-13-37-14-11-34)31-20-4-2-3-18(25(26,27)28)22(20)17-5-7-33(8-6-17)9-12-36/h2-4,15,17,31,36H,5-14,29H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288349
PNG
(US10087187, Compound 39)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(C)c1C)N1CCOCC1
Show InChI InChI=1S/C19H24N6O/c1-12-5-4-6-16(13(12)2)22-18-14(3)21-19-15(20)11-17(23-25(18)19)24-7-9-26-10-8-24/h4-6,11,22H,7-10,20H2,1-3H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288381
PNG
(US10087187, Compound 74 | US10087187, Compound 77 ...)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O2/c1-14-21(33-22(28-14)18(27)11-20(30-33)32-7-9-35-10-8-32)29-19-4-2-3-17(23(24,25)26)16(19)13-31-6-5-15(34)12-31/h2-4,11,15,29,34H,5-10,12-13,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM36409
PNG
(2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin...)
Show SMILES CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for PIK3CD kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288359
PNG
(US10087187, Compound 50)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(F)c1C)N1CCOCC1)-c1c[nH]cn1
Show InChI InChI=1S/C21H22FN7O/c1-13-16(22)4-3-5-17(13)26-20-14(2)25-21-15(18-11-23-12-24-18)10-19(27-29(20)21)28-6-8-30-9-7-28/h3-5,10-12,26H,6-9H2,1-2H3,(H,23,24)
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n/an/an/a 33n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288373
PNG
(US10087187, Compound 64)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc2CNCCc12)N1CCOCC1
Show InChI InChI=1S/C20H25N7O/c1-13-19(24-17-4-2-3-14-12-22-6-5-15(14)17)27-20(23-13)16(21)11-18(25-27)26-7-9-28-10-8-26/h2-4,11,22,24H,5-10,12,21H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288357
PNG
(US10087187, Compound 48)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(C1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O3S/c1-14-21(33-22(28-14)18(27)10-20(30-33)32-6-8-36-9-7-32)29-19-5-3-4-17(23(24,25)26)16(19)13-31-11-15(12-31)37(2,34)35/h3-5,10,15,29H,6-9,11-13,27H2,1-2H3
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n/an/an/a 34n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288381
PNG
(US10087187, Compound 74 | US10087187, Compound 77 ...)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O2/c1-14-21(33-22(28-14)18(27)11-20(30-33)32-7-9-35-10-8-32)29-19-4-2-3-17(23(24,25)26)16(19)13-31-6-5-15(34)12-31/h2-4,11,15,29,34H,5-10,12-13,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288371
PNG
(US10087187, Compound 62)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCCC1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O/c1-15-21(33-22(28-15)18(27)13-20(30-33)32-9-11-34-12-10-32)29-19-6-4-5-17(23(24,25)26)16(19)14-31-7-2-3-8-31/h4-6,13,29H,2-3,7-12,14,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200970
PNG
(CHEMBL3955003 | US10087187, Compound 52)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288372
PNG
(US10087187, Compound 63)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(F)c1CN1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H28FN7O2/c1-15-21(26-19-4-2-3-17(23)16(19)14-28-5-9-31-10-6-28)30-22(25-15)18(24)13-20(27-30)29-7-11-32-12-8-29/h2-4,13,26H,5-12,14,24H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288394
PNG
(US10087187, Compound 89)
Show SMILES Cc1nc2c(cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1)-c1ccn[nH]1
Show InChI InChI=1S/C24H28N8O2/c1-17-23(27-20-4-2-3-5-21(20)30-8-12-33-13-9-30)32-24(26-17)18(19-6-7-25-28-19)16-22(29-32)31-10-14-34-15-11-31/h2-7,16,27H,8-15H2,1H3,(H,25,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288356
PNG
(US10087187, Compound 47)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(C1)S(C)(=O)=O)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C24H30F3N7O3S/c1-15-22(34-23(29-15)19(28)12-21(31-34)33-8-10-37-11-9-33)30-20-5-3-4-18(24(25,26)27)17(20)14-32-7-6-16(13-32)38(2,35)36/h3-5,12,16,30H,6-11,13-14,28H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288381
PNG
(US10087187, Compound 74 | US10087187, Compound 77 ...)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCC(O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O2/c1-14-21(33-22(28-14)18(27)11-20(30-33)32-7-9-35-10-8-32)29-19-4-2-3-17(23(24,25)26)16(19)13-31-6-5-15(34)12-31/h2-4,11,15,29,34H,5-10,12-13,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288353
PNG
(US10087187, Compound 43)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CCS(=O)(=O)CC1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C23H28F3N7O3S/c1-15-21(33-22(28-15)18(27)13-20(30-33)32-5-9-36-10-6-32)29-19-4-2-3-17(23(24,25)26)16(19)14-31-7-11-37(34,35)12-8-31/h2-4,13,29H,5-12,14,27H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200972
PNG
(CHEMBL3974658 | US10087187, Compound 22)
Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(H,30,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200972
PNG
(CHEMBL3974658 | US10087187, Compound 22)
Show SMILES Cc1c(Cc2c(CO)nc3c(cc(nn23)N2CCOCC2)C(O)=O)cccc1C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O4/c1-12-13(3-2-4-15(12)21(22,23)24)9-17-16(11-29)25-19-14(20(30)31)10-18(26-28(17)19)27-5-7-32-8-6-27/h2-4,10,29H,5-9,11H2,1H3,(H,30,31)
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n/an/an/a 48n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288384
PNG
(US10087187, Compound 79 | US10087187, Compound 84)
Show SMILES CC(N)C(=O)OCc1nc2c(N)cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F3N7O3/c1-12-14(22(23,24)25)4-3-5-16(12)28-20-17(11-35-21(33)13(2)26)29-19-15(27)10-18(30-32(19)20)31-6-8-34-9-7-31/h3-5,10,13,28H,6-9,11,26-27H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200976
PNG
(CHEMBL3946307)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(18-11-26-12-27-18)10-19(30-32(20)21)31-6-8-33-9-7-31/h3-5,10-12,29H,6-9H2,1-2H3,(H,26,27)
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288344
PNG
(US10087187, Compound 34 | US10087187, Compound 35)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
Show InChI InChI=1S/C22H22F3N7O/c1-13-16(22(23,24)25)4-3-5-17(13)29-20-14(2)28-21-15(19-26-6-7-27-19)12-18(30-32(20)21)31-8-10-33-11-9-31/h3-7,12,29H,8-11H2,1-2H3,(H,26,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288320
PNG
(US10087187, Compound 13)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(Cl)c1C)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C20H21ClN4O3/c1-12-14(4-3-5-16(12)21)10-17-13(2)22-19-15(20(26)27)11-18(23-25(17)19)24-6-8-28-9-7-24/h3-5,11H,6-10H2,1-2H3,(H,26,27)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288378
PNG
(US10087187, Compound 69)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1ccccc1CN1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O2/c1-16-21(25-19-5-3-2-4-17(19)15-27-6-10-30-11-7-27)29-22(24-16)18(23)14-20(26-29)28-8-12-31-13-9-28/h2-5,14,25H,6-13,15,23H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288346
PNG
(US10087187, Compound 36)
Show SMILES Cc1nc2c(cc(nn2c1Nc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C20H20F3N5O3/c1-11-14(20(21,22)23)4-3-5-15(11)25-17-12(2)24-18-13(19(29)30)10-16(26-28(17)18)27-6-8-31-9-7-27/h3-5,10,25H,6-9H2,1-2H3,(H,29,30)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288335
PNG
(US10087187, Compound 25 | US10087187, Compound 27)
Show SMILES CC1CN(CCO1)c1cc(-c2c[nH]cn2)c2nc(CO)c(Cc3cccc(c3C)C(F)(F)F)n2n1
Show InChI InChI=1S/C24H25F3N6O2/c1-14-11-32(6-7-35-14)22-9-17(19-10-28-13-29-19)23-30-20(12-34)21(33(23)31-22)8-16-4-3-5-18(15(16)2)24(25,26)27/h3-5,9-10,13-14,34H,6-8,11-12H2,1-2H3,(H,28,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288328
PNG
(US10087187, Compound 18)
Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)12-21-20(14-31-16(2)36)32-24-18(23-29-6-7-30-23)13-22(33-35(21)24)34-8-10-37-11-9-34/h3-7,13H,8-12,14H2,1-2H3,(H,29,30)(H,31,36)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200959
PNG
(CHEMBL3903747)
Show SMILES CC(=O)NCc1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1cnc[nH]1
Show InChI InChI=1S/C25H26F3N7O2/c1-15-17(4-3-5-19(15)25(26,27)28)10-22-21(13-30-16(2)36)32-24-18(20-12-29-14-31-20)11-23(33-35(22)24)34-6-8-37-9-7-34/h3-5,11-12,14H,6-10,13H2,1-2H3,(H,29,31)(H,30,36)
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n/an/an/a 59n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288377
PNG
(US10087187, Compound 68)
Show SMILES Cc1c(Nc2c(CO)nc3c(cc(nn23)N2CCOC(CO)C2)-c2c[nH]cn2)cccc1C(F)(F)F
Show InChI InChI=1S/C23H24F3N7O3/c1-13-16(23(24,25)26)3-2-4-17(13)29-22-19(11-35)30-21-15(18-8-27-12-28-18)7-20(31-33(21)22)32-5-6-36-14(9-32)10-34/h2-4,7-8,12,14,29,34-35H,5-6,9-11H2,1H3,(H,27,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288393
PNG
(US10087187, Compound 88)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1ccccc1N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H27N7O2/c1-15-20(24-17-4-2-3-5-18(17)26-6-10-29-11-7-26)28-21(23-15)16(22)14-19(25-28)27-8-12-30-13-9-27/h2-5,14,24H,6-13,22H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288319
PNG
(US10087187, Compound 12)
Show SMILES Cc1nc2c(cc(nn2c1Cc1cccc(C)c1C)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C21H24N4O3/c1-13-5-4-6-16(14(13)2)11-18-15(3)22-20-17(21(26)27)12-19(23-25(18)20)24-7-9-28-10-8-24/h4-6,12H,7-11H2,1-3H3,(H,26,27)
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n/an/an/a 69n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288341
PNG
(US10087187, Compound 31)
Show SMILES CC(O)c1nc2c(cc(nn2c1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)-c1ncc[nH]1
Show InChI InChI=1S/C24H25F3N6O2/c1-14-16(4-3-5-18(14)24(25,26)27)12-19-21(15(2)34)30-23-17(22-28-6-7-29-22)13-20(31-33(19)23)32-8-10-35-11-9-32/h3-7,13,15,34H,8-12H2,1-2H3,(H,28,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50200970
PNG
(CHEMBL3955003 | US10087187, Compound 52)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC(O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C22H26F3N7O2/c1-13-20(32-21(27-13)17(26)9-19(29-32)31-5-7-34-8-6-31)28-18-4-2-3-16(22(23,24)25)15(18)12-30-10-14(33)11-30/h2-4,9,14,28,33H,5-8,10-12,26H2,1H3
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n/an/an/a 73n/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay


ACS Med Chem Lett 7: 1012-1013 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00406
BindingDB Entry DOI: 10.7270/Q2N29ZX9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288362
PNG
(US10087187, Compound 53)
Show SMILES Cc1nc2c(N)cc(nn2c1Nc1cccc(c1CN1CC2(CCS2(=O)=O)C1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C24H28F3N7O3S/c1-15-21(34-22(29-15)18(28)11-20(31-34)33-6-8-37-9-7-33)30-19-4-2-3-17(24(25,26)27)16(19)12-32-13-23(14-32)5-10-38(23,35)36/h2-4,11,30H,5-10,12-14,28H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288311
PNG
(US10087187, Compound 4)
Show SMILES Cc1c(Cc2c(CNCCO)nc3c(cc(nn23)N2CCOCC2)-c2ncc[nH]2)cccc1C(F)(F)F
Show InChI InChI=1S/C25H28F3N7O2/c1-16-17(3-2-4-19(16)25(26,27)28)13-21-20(15-29-7-10-36)32-24-18(23-30-5-6-31-23)14-22(33-35(21)24)34-8-11-37-12-9-34/h2-6,14,29,36H,7-13,15H2,1H3,(H,30,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288390
PNG
(US10087187, Compound 85)
Show SMILES Cc1c(Nc2c(CN)nc3c(N)cc(nn23)N2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O/c1-11-12(19(20,21)22)3-2-4-14(11)25-18-15(10-23)26-17-13(24)9-16(27-29(17)18)28-5-7-30-8-6-28/h2-4,9,25H,5-8,10,23-24H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM288379
PNG
(US10087187, Compound 71)
Show SMILES CC(CO)NCc1c(F)cccc1Nc1c(C)nc2c(N)cc(nn12)N1CCOCC1
Show InChI InChI=1S/C21H28FN7O2/c1-13(12-30)24-11-15-16(22)4-3-5-18(15)26-20-14(2)25-21-17(23)10-19(27-29(20)21)28-6-8-31-9-7-28/h3-5,10,13,24,26,30H,6-9,11-12,23H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, Sa...


US Patent US10087187 (2018)

More data for this
Ligand-Target Pair
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