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Compile Data Set for Download or QSAR

Found 239 hits of kd data for polymerid = 2109,9133   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50506315
PNG
(CHEMBL4579923)
Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r|
Show InChI InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1
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n/an/an/a 0.200n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay


J Med Chem 63: 638-655 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01585
BindingDB Entry DOI: 10.7270/Q2F76GVB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50506323
PNG
(CHEMBL4556087)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
Show InChI InChI=1S/C25H35N3O6S/c1-25(2,29)20-5-7-28(8-6-20)9-10-34-23-13-17(11-19-15-33-16-21(19)23)18-12-22(27-35(4,30)31)24(32-3)26-14-18/h11-14,20,27,29H,5-10,15-16H2,1-4H3
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n/an/an/a 0.251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay


J Med Chem 63: 638-655 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01585
BindingDB Entry DOI: 10.7270/Q2F76GVB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50358204
PNG
(CHEMBL1922094)
Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r|
Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
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n/an/an/a 3.30n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
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 3.30n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50240973
PNG
(CHEMBL4102855)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)
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n/an/an/a 3.5n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50543037
PNG
(CHEMBL4638471)
Show SMILES COc1ncc2cc1NS(=O)(=O)CCN(C)Cc1ccc3OCCN2c3c1
Show InChI InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3
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n/an/an/a 4n/an/an/an/an/a



GSK Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to PI3Kdelta (unknown origin) by SPR based van't Hoff analysis


ACS Med Chem Lett 11: 1386-1391 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00061
BindingDB Entry DOI: 10.7270/Q2988BKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50468033
PNG
(CHEMBL4293970)
Show SMILES CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23 |c:9|
Show InChI InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9H,19H2,1-3H3,(H,22,24)/b5-4+
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n/an/an/a 4.90n/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta after 1 hr by KINOMEscan assay


J Med Chem 61: 10463-10472 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00975
BindingDB Entry DOI: 10.7270/Q24F1TD1
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))
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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/an/a 5.5n/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta after 1 hr by KINOMEscan assay


J Med Chem 61: 10463-10472 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00975
BindingDB Entry DOI: 10.7270/Q24F1TD1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM184557
PNG
(US9150579, B2)
Show SMILES CC(C)Oc1ccc(cc1F)-c1nn([C@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m1/s1
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n/an/an/a>6.20n/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50602176
PNG
(CHEMBL5170320)
Show SMILES C[C@@H](c1oc2ccc(F)cc2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(OC(F)F)c(F)c2)c2c(N)ncnc12 |r|
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n/an/an/a 6.20n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00206j
BindingDB Entry DOI: 10.7270/Q2PC36F2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50271149
PNG
(CHEMBL4125781)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r|
Show InChI InChI=1S/C29H34F2N6O2/c1-18-16-36(17-19(2)33-18)29(38)20-10-24(26-4-3-5-37(26)23-13-21(30)12-22(31)14-23)28-25(11-20)32-15-27(34-28)35-6-8-39-9-7-35/h10-15,18-19,26,33H,3-9,16-17H2,1-2H3/t18-,19+,26?
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n/an/an/a 7n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human PIK3Cdelta (R108 to Q1044 residues) expressed in mammalian expression system by KINOMEScan assay


ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
More data for this
Ligand-Target Pair
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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n/an/an/a 9n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 9n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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))
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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n/an/an/a 11n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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



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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50271156
PNG
(CHEMBL4130282)
Show SMILES CN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(cnc2c1)N1CCOCC1 |r|
Show InChI InChI=1S/C25H27F2N5O2/c1-30(2)25(33)16-10-20(22-4-3-5-32(22)19-13-17(26)12-18(27)14-19)24-21(11-16)28-15-23(29-24)31-6-8-34-9-7-31/h10-15,22H,3-9H2,1-2H3/t22-/m1/s1
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n/an/an/a 15n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to wild-type human PIK3Cdelta (R108 to Q1044 residues) expressed in mammalian expression system by KINOMEScan assay


ACS Med Chem Lett 8: 778-780 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00254
BindingDB Entry DOI: 10.7270/Q2TT4TFM
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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n/an/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 16n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 17n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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))
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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n/an/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 20n/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))
BDBM50240975
PNG
(CHEMBL4084907)
Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
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n/an/an/a 25n/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay


J Med Chem 60: 7524-7538 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00930
BindingDB Entry DOI: 10.7270/Q2WM1GKP
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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n/an/an/a 28n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM315477
PNG
(US10172858, Table 1.1 | US10172858, Table 1.22)
Show SMILES CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
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n/an/an/a 30n/an/an/an/an/a



University of Basel

Curated by ChEMBL


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


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
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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n/an/an/a 31n/an/an/an/an/a



University of Basel

Curated by ChEMBL


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


J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
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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n/an/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 31n/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))
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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 35n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 35n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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 40n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50555461
PNG
(CHEMBL4749655)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
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n/an/an/a 41n/an/an/an/an/a


TBA

Assay Description
Inhibition of human wild type partial length PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01465
BindingDB Entry DOI: 10.7270/Q2765K0S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50555461
PNG
(CHEMBL4749655)
Show SMILES OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
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TBA

Assay Description
Inhibition of human PI3Kdelta incubated for 1 hr by ADP-Glo kinase assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01465
BindingDB Entry DOI: 10.7270/Q2765K0S
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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n/an/an/a 42n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 44n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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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n/an/an/a 47n/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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
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



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)


BindingDB Entry DOI: 10.7270/Q2M61N9J
More data for this
Ligand-Target Pair
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