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Compile Data Set for Download or QSAR

Found 6182 hits with Last Name = 'sparks' and Initial = 'rb'   
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
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM13467
PNG
((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1
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n/an/a 0.400n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529386
PNG
(CHEMBL4458634)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccnc(c1)C(=O)N(C)C)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H26ClN7O2/c1-12-17(25)10-16(14(3)32-23-20(13(2)30-32)22(26)28-11-29-23)21(34-6)19(12)15-7-8-27-18(9-15)24(33)31(4)5/h7-11,14H,1-6H3,(H2,26,28,29)/t14-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529384
PNG
(CHEMBL4438376)
Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc(N)c1C#N |r|
Show InChI InChI=1S/C21H21ClN6O3S/c1-11-17(22)6-15(12(2)28-21-16(7-23)20(24)26-10-27-21)19(31-3)18(11)13-5-14(9-25-8-13)32(4,29)30/h5-6,8-10,12H,1-4H3,(H3,24,26,27,28)/t12-/m0/s1
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n/an/a 0.990n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261330
PNG
(US10092570, Example 352 | US9707233, 350)
Show SMILES CCOc1c(cc(Cl)c(C#N)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H22ClN7O2/c1-4-31-19-13(6-15(22)14(7-23)18(19)12-5-16(30)25-8-12)11(3)29-21-17(10(2)28-29)20(24)26-9-27-21/h6,9,11-12H,4-5,8H2,1-3H3,(H,25,30)(H2,24,26,27)/t11-,12?/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM272573
PNG
(US10065963, 32c | US10376513, Example 346 | US1064...)
Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM272573
PNG
(US10065963, 32c | US10376513, Example 346 | US1064...)
Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in AKT phosphorylation incubated for 2 hrs by Alexa flour 488 based FACS analysis


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM272573
PNG
(US10065963, 32c | US10376513, Example 346 | US1064...)
Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP base...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261317
PNG
(US10376513, Example 310 | US11433071, Example 311 ...)
Show SMILES CCOc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H25ClN6O2/c1-5-30-19-14(7-15(22)10(2)17(19)13-6-16(29)24-8-13)12(4)28-21-18(11(3)27-28)20(23)25-9-26-21/h7,9,12-13H,5-6,8H2,1-4H3,(H,24,29)(H2,23,25,26)/t12-,13?/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM13469
PNG
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
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n/an/a 1.70n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529381
PNG
(CHEMBL4446120)
Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)S(C)(=O)=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
Show InChI InChI=1S/C21H21ClN6O3S/c1-11-16(22)6-15(12(2)28-21-18-20(25-9-24-18)26-10-27-21)19(31-3)17(11)13-5-14(8-23-7-13)32(4,29)30/h5-10,12H,1-4H3,(H2,24,25,26,27,28)/t12-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529385
PNG
(CHEMBL4444112)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccc(cn1)C(=O)N(C)C)[C@H](C)Nc1ncnc(N)c1C#N |r|
Show InChI InChI=1S/C23H24ClN7O2/c1-12-17(24)8-15(13(2)30-22-16(9-25)21(26)28-11-29-22)20(33-5)19(12)18-7-6-14(10-27-18)23(32)31(3)4/h6-8,10-11,13H,1-5H3,(H3,26,28,29,30)/t13-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM125902
PNG
(US8765727, 5)
Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)
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US Patent
n/an/a 1.90n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM384664
PNG
(4-((5)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrim...)
Show SMILES COc1c(cc(Cl)c(C#N)c1C1CN(C[C@H](C)O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H26ClN7O2/c1-11(31)7-29-8-14(9-29)19-16(6-24)17(23)5-15(20(19)32-4)13(3)30-22-18(12(2)28-30)21(25)26-10-27-22/h5,10-11,13-14,31H,7-9H2,1-4H3,(H2,25,26,27)/t11-,13-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM272573
PNG
(US10065963, 32c | US10376513, Example 346 | US1064...)
Show SMILES CCOc1c(cc(Cl)c(F)c1[C@@H]1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgE antibody-induced CD63 expression by flow cast kit method


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM125902
PNG
(US8765727, 5)
Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)
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n/an/a 2.40n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529388
PNG
(CHEMBL4443149)
Show SMILES COc1c(cc(Cl)c(C)c1C1CNC(=O)C1)[C@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23ClN6O2/c1-9-14(21)6-13(18(29-4)16(9)12-5-15(28)23-7-12)11(3)27-20-17(10(2)26-27)19(22)24-8-25-20/h6,8,11-12H,5,7H2,1-4H3,(H,23,28)(H2,22,24,25)/t11-,12?/m0/s1
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Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529391
PNG
(CHEMBL4513857)
Show SMILES COc1c(cc(Cl)c(C)c1-c1cnn(C)c1)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
Show InChI InChI=1S/C19H20ClN7O/c1-10-14(20)5-13(17(28-4)15(10)12-6-25-27(3)7-12)11(2)26-19-16-18(22-8-21-16)23-9-24-19/h5-9,11H,1-4H3,(H2,21,22,23,24,26)/t11-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
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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n/an/a 3.40n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529390
PNG
(CHEMBL4470672)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccc(cc1)S(C)(=O)=O)[C@H](C)Nc1ncnc2[nH]cnc12 |r|
Show InChI InChI=1S/C22H22ClN5O3S/c1-12-17(23)9-16(13(2)28-22-19-21(25-10-24-19)26-11-27-22)20(31-3)18(12)14-5-7-15(8-6-14)32(4,29)30/h5-11,13H,1-4H3,(H2,24,25,26,27,28)/t13-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM125902
PNG
(US8765727, 5)
Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)
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n/an/a 4.20n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM125913
PNG
(US8765727, 16)
Show SMILES Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3
Show InChI InChI=1S/C20H18BrClN4O/c21-15-7-14-9-17(10-15)27-6-2-4-13-3-1-5-16(8-13)25-20-24-12-18(22)19(26-20)23-11-14/h1,3,5,7-10,12H,2,4,6,11H2,(H2,23,24,25,26)
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n/an/a 5n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529383
PNG
(CHEMBL4570334)
Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c(C)c(-c2cnn(C)c2)c1-c1cccc(F)c1
Show InChI InChI=1S/C24H21ClFN7/c1-13-19(25)8-18(14(2)32-24-22-23(28-11-27-22)29-12-30-24)21(15-5-4-6-17(26)7-15)20(13)16-9-31-33(3)10-16/h4-12,14H,1-3H3,(H2,27,28,29,30,32)
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n/an/a 5.30n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM125904
PNG
(US8765727, 7)
Show SMILES Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C19H17ClN4O2/c20-17-12-22-19-23-14-4-2-6-16(10-14)26-8-7-25-15-5-1-3-13(9-15)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)
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n/an/a 6.40n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM125904
PNG
(US8765727, 7)
Show SMILES Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C19H17ClN4O2/c20-17-12-22-19-23-14-4-2-6-16(10-14)26-8-7-25-15-5-1-3-13(9-15)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)
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n/an/a 8.30n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50529389
PNG
(CHEMBL4440146)
Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H16ClFN6/c1-12(30-22-20-21(27-10-26-20)28-11-29-22)16-9-17(23)15-6-3-7-25-19(15)18(16)13-4-2-5-14(24)8-13/h2-12H,1H3,(H2,26,27,28,29,30)/t12-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based...


ACS Med Chem Lett 10: 1554-1560 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00334
BindingDB Entry DOI: 10.7270/Q2ST7T86
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM125899
PNG
(US8765727, 2)
Show SMILES Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3
Show InChI InChI=1S/C19H17ClN4O/c20-17-12-22-19-23-15-5-1-3-13(9-15)7-8-25-16-6-2-4-14(10-16)11-21-18(17)24-19/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23,24)
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n/an/a 9.20n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...


US Patent US8765727 (2014)


BindingDB Entry DOI: 10.7270/Q2FQ9V87
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255856
PNG
(5-{3-[1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1c(cc(Cl)c(C)c1-c1cncc(c1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C24H26ClN7O2/c1-12-18(25)8-17(14(3)32-23-20(13(2)30-32)22(26)28-11-29-23)21(34-6)19(12)15-7-16(10-27-9-15)24(33)31(4)5/h7-11,14H,1-6H3,(H2,26,28,29)
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255800
PNG
(5-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C24H26ClN7O2/c1-12-17(25)9-16(14(3)32-23-20(13(2)30-32)22(26)28-11-29-23)21(34-6)19(12)15-7-8-18(27-10-15)24(33)31(4)5/h7-11,14H,1-6H3,(H2,26,28,29)
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255858
PNG
(US11433071, Example 67-1 | US9707233, 67 (1st peak...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O/c1-10(2)28-7-13(8-28)17-18(23)15(22)6-14(19(17)30-5)12(4)29-21-16(11(3)27-29)20(24)25-9-26-21/h6,9-10,12-13H,7-8H2,1-5H3,(H2,24,25,26)/t12-/m1/s1
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM441880
PNG
((2R)-1-(3-{3-[1-(4-Amino-3- methyl-1H-pyrazolo[3,4...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O2/c1-10(30)6-28-7-13(8-28)17-18(23)15(22)5-14(19(17)31-4)12(3)29-21-16(11(2)27-29)20(24)25-9-26-21/h5,9-10,12-13,30H,6-8H2,1-4H3,(H2,24,25,26)/t10-,12+/m0/s1
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM570418
PNG
((2R)-1-(3-{3-[1-(4-Amino-3- methyl-1H-pyrazolo[3,4...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@@H](C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM570419
PNG
(1-(3-{3-[1-(4-Amino-3-methyl-1H- pyrazolo[3,4-d]py...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(CC(C)(C)O)C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255862
PNG
(2-(3-{3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C20H24ClFN6O2/c1-10-15-19(23)24-9-25-20(15)28(26-10)11(2)13-6-14(21)17(22)16(18(13)30-3)12-7-27(8-12)4-5-29/h6,9,11-12,29H,4-5,7-8H2,1-3H3,(H2,23,24,25)
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255863
PNG
(1-{1-[5-Chloro-4-fluoro-2-methoxy-3-(1-oxetan-3-yl...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C)C1)C(C)n1nc(C)c2c(N)ncnc12
Show InChI InChI=1S/C19H22ClFN6O/c1-9-14-18(22)23-8-24-19(14)27(25-9)10(2)12-5-13(20)16(21)15(17(12)28-4)11-6-26(3)7-11/h5,8,10-11H,6-7H2,1-4H3,(H2,22,23,24)
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255864
PNG
(1-{1-[5-Chloro-4-fluoro-3-(1-isopropylazetidin-3-y...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H24ClF3N6O/c1-9(2)30-6-11(7-30)14-16(23)13(22)5-12(18(14)32-4)10(3)31-21-15(17(29-31)19(24)25)20(26)27-8-28-21/h5,8-11,19H,6-7H2,1-4H3,(H2,26,27,28)
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM289073
PNG
(US10092570, Example 74 | US10376513, Example 74 | ...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C20H22ClF3N6O2/c1-9(30-20-14(16(28-30)18(23)24)19(25)26-8-27-20)11-5-12(21)15(22)13(17(11)32-2)10-6-29(7-10)3-4-31/h5,8-10,18,31H,3-4,6-7H2,1-2H3,(H2,25,26,27)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM289074
PNG
(1-{1-[5-Chloro-4-fluoro-2- methoxy-3-(1-methylazet...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C19H20ClF3N6O/c1-8(29-19-13(15(27-29)17(22)23)18(24)25-7-26-19)10-4-11(20)14(21)12(16(10)30-3)9-5-28(2)6-9/h4,7-9,17H,5-6H2,1-3H3,(H2,24,25,26)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM256122
PNG
((2S)-1-[3-(3-{1-[4-amino-3-(difluoromethyl)-1H-pyr...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24ClF3N6O2/c1-9(32)5-30-6-11(7-30)14-16(23)13(22)4-12(18(14)33-3)10(2)31-21-15(17(29-31)19(24)25)20(26)27-8-28-21/h4,8-11,19,32H,5-7H2,1-3H3,(H2,26,27,28)/t9-,10?/m0/s1
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM256123
PNG
(5-(1-(4-Amino-3-(difluoromethyl)-1H-pyrazolo[3,4-d...)
Show SMILES COc1c(cc(C#N)c(F)c1C1CN(C[C@H](C)O)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C22H24F3N7O2/c1-10(33)6-31-7-13(8-31)15-17(23)12(5-26)4-14(19(15)34-3)11(2)32-22-16(18(30-32)20(24)25)21(27)28-9-29-22/h4,9-11,13,20,33H,6-8H2,1-3H3,(H2,27,28,29)/t10-,11?/m0/s1
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM289077
PNG
(5-{1-[4-Amino-3-(difluoromethyl)- 1H-pyrazolo[3,4-...)
Show SMILES COc1c(cc(C#N)c(F)c1C1CN(CCO)C1)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H22F3N7O2/c1-10(31-21-15(17(29-31)19(23)24)20(26)27-9-28-21)13-5-11(6-25)16(22)14(18(13)33-2)12-7-30(8-12)3-4-32/h5,9-10,12,19,32H,3-4,7-8H2,1-2H3,(H2,26,27,28)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM259101
PNG
(5-[3-(1-{4-Amino-3-[(3R)-3-hydroxybut-1-yn-1-yl]-1...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C#C[C@@H](C)O)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H30ClN7O3/c1-7-39-25-19(12-20(29)16(3)23(25)18-9-11-22(31-13-18)28(38)35(5)6)17(4)36-27-24(26(30)32-14-33-27)21(34-36)10-8-15(2)37/h9,11-15,17,37H,7H2,1-6H3,(H2,30,32,33)/t15-,17?/m1/s1
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261057
PNG
(5-[3-(1-{4-Amino-3-[(3S)-3-hydroxybut-1-yn-1-yl]-1...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C#C[C@H](C)O)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H30ClN7O3/c1-7-39-25-19(12-20(29)16(3)23(25)18-9-11-22(31-13-18)28(38)35(5)6)17(4)36-27-24(26(30)32-14-33-27)21(34-36)10-8-15(2)37/h9,11-15,17,37H,7H2,1-6H3,(H2,30,32,33)/t15-,17?/m0/s1
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261059
PNG
(5-(3-{1-[4-Amino-3-(difluoromethyl)-1H-pyrazolo[3,...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(C(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C25H26ClF2N7O2/c1-6-37-21-15(13(3)35-24-19(20(33-35)22(27)28)23(29)31-11-32-24)9-16(26)12(2)18(21)14-7-8-17(30-10-14)25(36)34(4)5/h7-11,13,22H,6H2,1-5H3,(H2,29,31,32)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261060
PNG
(5-(3-{1-[4-Amino-3-(hydroxymethyl)-1H-pyrazolo[3,4...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CO)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN7O3/c1-6-36-22-16(14(3)33-24-21(19(11-34)31-33)23(27)29-12-30-24)9-17(26)13(2)20(22)15-7-8-18(28-10-15)25(35)32(4)5/h7-10,12,14,34H,6,11H2,1-5H3,(H2,27,29,30)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261063
PNG
(5-(3-{1-[4-Amino-3-(fluoromethyl)-1H-pyrazolo[3,4-...)
Show SMILES CCOc1c(cc(Cl)c(C)c1-c1ccc(nc1)C(=O)N(C)C)C(C)n1nc(CF)c2c(N)ncnc12
Show InChI InChI=1S/C25H27ClFN7O2/c1-6-36-22-16(14(3)34-24-21(19(10-27)32-34)23(28)30-12-31-24)9-17(26)13(2)20(22)15-7-8-18(29-11-15)25(35)33(4)5/h7-9,11-12,14H,6,10H2,1-5H3,(H2,28,30,31)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261064
PNG
(3-{1-[4-Amino-3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cn[nH]c3)c3c(N)ncnc23)c1OCC
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261065
PNG
(3-{1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyra...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C25H26ClFN6O3/c1-5-29-25(35)19-12(3)18(26)10-17(22(19)36-6-2)13(4)33-24-20(23(28)30-11-31-24)21(32-33)14-7-15(27)9-16(34)8-14/h7-11,13,34H,5-6H2,1-4H3,(H,29,35)(H2,28,30,31)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261066
PNG
(3-(1-(4-Amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-py...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C26H27ClN8O3/c1-5-30-25(36)19-12(3)16(27)10-15(22(19)37-6-2)13(4)35-24-20(23(28)31-11-32-24)21(34-35)14-7-8-18-17(9-14)33-26(29)38-18/h7-11,13H,5-6H2,1-4H3,(H2,29,33)(H,30,36)(H2,28,31,32)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261067
PNG
(3-{1-[4-Amino-3-(2-amino-1,3-benzothiazol-6-yl)-1H...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc23)c1OCC
Show InChI InChI=1S/C26H27ClN8O2S/c1-5-30-25(36)19-12(3)16(27)10-15(22(19)37-6-2)13(4)35-24-20(23(28)31-11-32-24)21(34-35)14-7-8-17-18(9-14)38-26(29)33-17/h7-11,13H,5-6H2,1-4H3,(H2,29,33)(H,30,36)(H2,28,31,32)
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM261068
PNG
(3-{1-[4-Amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...)
Show SMILES CCNC(=O)c1c(C)c(Cl)cc(C(C)n2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)c1OCC
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TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
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