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Compile Data Set for Download or QSAR

Found 449 hits from ASTRAZENECA AB   
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
Leukotriene C4 synthase


(Homo sapiens)
BDBM223288
PNG
((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1
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n/an/a 0.248n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223287
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...)
Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1
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n/an/a 0.289n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM310035
PNG
((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...)
Show SMILES CCCN(c1cnc(C(=O)C2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F
Show InChI InChI=1S/C19H18ClF2N3O4/c1-3-4-25(14-6-11(20)12(21)7-13(14)22)15-8-23-16(18(24-15)29-2)17(26)9-5-10(9)19(27)28/h6-10H,3-5H2,1-2H3,(H,27,28)/t9?,10-/m0/s1
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n/an/a 0.483n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...


US Patent US9657001 (2017)

More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens)
BDBM223290
PNG
((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...)
Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1
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n/an/a 0.658n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...


US Patent US9657001 (2017)

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


(Homo sapiens (human))
BDBM119230
PNG
(US8673906, 1.01 | US9718800, 1.01)
Show SMILES CC(Nc1cccc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C26H31FN4O4/c1-17(29-20-6-4-5-19(27)15-20)21-13-18(26(33)28-7-8-30(2)3)14-22-23(32)16-24(35-25(21)22)31-9-11-34-12-10-31/h4-6,13-17,29H,7-12H2,1-3H3,(H,28,33)
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n/an/a 1n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119251
PNG
(US8673906, 3.11 | US8673906, 8.02 | US9718800, 8.0...)
Show SMILES CC(Nc1cc(F)c(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-15-10-18(25)22(27)19(26)11-15)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3
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n/an/a 2n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119292
PNG
(US8673906, 4.11 | US9718800, 4.11)
Show SMILES CCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O4/c1-4-29(3)25(32)16-9-20(15(2)28-19-12-17(26)11-18(27)13-19)24-21(10-16)22(31)14-23(34-24)30-5-7-33-8-6-30/h9-15,28H,4-8H2,1-3H3
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n/an/a 2n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM50070322
PNG
(CHEMBL3408248 | US9718800, 3.06b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
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n/an/a 2n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119231
PNG
(US8673906, 1.02 | US9718800, 1.02)
Show SMILES CC(Nc1ccccc1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C26H32N4O4/c1-18(28-20-7-5-4-6-8-20)21-15-19(26(32)27-9-10-29(2)3)16-22-23(31)17-24(34-25(21)22)30-11-13-33-14-12-30/h4-8,15-18,28H,9-14H2,1-3H3,(H,27,32)
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n/an/a 2n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119229
PNG
(US8673906, 1 | US9718800, 1.00)
Show SMILES CC(Nc1ccc(F)cc1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
Show InChI InChI=1S/C26H31FN4O4/c1-17(29-20-6-4-19(27)5-7-20)21-14-18(26(33)28-8-9-30(2)3)15-22-23(32)16-24(35-25(21)22)31-10-12-34-13-11-31/h4-7,14-17,29H,8-13H2,1-3H3,(H,28,33)
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n/an/a 2n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119304
PNG
(US8673906, 4.23 | US9718800, 4.23)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCC1CC1
Show InChI InChI=1S/C26H27F2N3O4/c1-15(30-20-11-18(27)10-19(28)12-20)21-8-17(26(33)29-14-16-2-3-16)9-22-23(32)13-24(35-25(21)22)31-4-6-34-7-5-31/h8-13,15-16,30H,2-7,14H2,1H3,(H,29,33)
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n/an/a 3n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119254
PNG
(US8673906, 3.14 | US8673906, 8 | US9718800, 8.0)
Show SMILES CC(Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3
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n/an/a 3n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM266964
PNG
(US9718800, 9.01b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@H](C)C1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 3n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119290
PNG
(US8673906, 4.09 | US9718800, 4.09)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-13-18(28)12-19(29)14-20)22-10-17(27(35)32-4-2-21(33)3-5-32)11-23-24(34)15-25(37-26(22)23)31-6-8-36-9-7-31/h10-16,21,30,33H,2-9H2,1H3
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ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM50070323
PNG
(CHEMBL3408250 | US9718800, 3.04b)
Show SMILES C[C@@H](Nc1cccc(Cl)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264225
PNG
((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O3/c1-17-13-29-27(31-21-15-35(3)33-26(21)39-5)32-23(17)19-14-28-24-18(19)7-6-8-20(24)30-25(37)22(16-38-4)36-11-9-34(2)10-12-36/h6-8,13-15,22,28H,9-12,16H2,1-5H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264231
PNG
((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F
Show InChI InChI=1S/C26H32FN9O2/c1-5-21(36-11-9-34(2)10-12-36)24(37)30-19-8-6-7-16-17(13-28-23(16)19)22-18(27)14-29-26(32-22)31-20-15-35(3)33-25(20)38-4/h6-8,13-15,21,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t21-/m1/s1
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n/an/a<3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264233
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<3n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

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


(Homo sapiens (human))
BDBM50070321
PNG
(CHEMBL3408247 | US9718800, 3.03b)
Show SMILES C[C@@H](Nc1ccc(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-16-4-5-19(25)20(26)12-16)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM323045
PNG
((1R,2R)-N-(2-Methyl-4-oxo-4,5,6,7- tetrahydropyraz...)
Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn2CCNC(=O)c12
Show InChI InChI=1S/C25H28N6O3/c1-14-13-20(29-28-14)16-7-9-17(10-8-16)23(32)18-5-3-4-6-19(18)24(33)27-21-15(2)30-31-12-11-26-25(34)22(21)31/h7-10,13,18-19H,3-6,11-12H2,1-2H3,(H,26,34)(H,27,33)(H,28,29)/t18-,19-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, ...


US Patent US10183947 (2019)

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


(Homo sapiens (human))
BDBM119289
PNG
(US8673906, 4.08 | US8673906, 7.02 | US9718800, 7.0...)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC1
Show InChI InChI=1S/C25H25F2N3O4/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(32)30-3-2-4-30)10-21-22(31)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,28H,2-8H2,1H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119236
PNG
(US8673906, 2.04 | US9718800, 2.04)
Show SMILES CC(Nc1ccc(F)c(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27ClFN3O5/c1-15(28-17-3-4-21(27)20(26)13-17)18-11-16(25(33)29(2)5-8-31)12-19-22(32)14-23(35-24(18)19)30-6-9-34-10-7-30/h3-4,11-15,28,31H,5-10H2,1-2H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119322
PNG
(US8673906, 9.01 | US9718800, 9.01)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCO[C@H](C)C1)C(=O)N(C)C
Show InChI InChI=1S/C25H27F2N3O4/c1-14-13-30(5-6-33-14)23-12-22(31)21-8-16(25(32)29(3)4)7-20(24(21)34-23)15(2)28-19-10-17(26)9-18(27)11-19/h7-12,14-15,28H,5-6,13H2,1-4H3/t14-,15?/m1/s1
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119249
PNG
(US8673906, 3.09 | US9718800, 3.09)
Show SMILES CC(Nc1cccc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H26ClN3O4/c1-15(26-18-6-4-5-17(25)13-18)19-11-16(24(30)27(2)3)12-20-21(29)14-22(32-23(19)20)28-7-9-31-10-8-28/h4-6,11-15,26H,7-10H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119250
PNG
(US8673906, 3.1 | US9718800, 3.10)
Show SMILES CC(Nc1cccc(F)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25F2N3O4/c1-14(27-19-6-4-5-18(25)22(19)26)16-11-15(24(31)28(2)3)12-17-20(30)13-21(33-23(16)17)29-7-9-32-10-8-29/h4-6,11-14,27H,7-10H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119251
PNG
(US8673906, 3.11 | US8673906, 8.02 | US9718800, 8.0...)
Show SMILES CC(Nc1cc(F)c(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-15-10-18(25)22(27)19(26)11-15)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM50070326
PNG
(CHEMBL3408257 | US9718800, 3.13b)
Show SMILES C[C@@H](Nc1cc(F)cc(F)c1F)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H24F3N3O4/c1-13(28-19-11-15(25)10-18(26)22(19)27)16-8-14(24(32)29(2)3)9-17-20(31)12-21(34-23(16)17)30-4-6-33-7-5-30/h8-13,28H,4-7H2,1-3H3/t13-/m1/s1
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119254
PNG
(US8673906, 3.14 | US8673906, 8 | US9718800, 8.0)
Show SMILES CC(Nc1cc(F)cc(Cl)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119262
PNG
(US8673906, 3.22 | US9718800, 3.22)
Show SMILES CC(Nc1cc(F)ccc1C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H28FN3O4/c1-15-5-6-18(26)13-21(15)27-16(2)19-11-17(25(31)28(3)4)12-20-22(30)14-23(33-24(19)20)29-7-9-32-10-8-29/h5-6,11-14,16,27H,7-10H2,1-4H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119266
PNG
(US8673906, 3.26 | US9718800, 3.26)
Show SMILES CC(Nc1cc(F)ccc1Cl)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C24H25ClFN3O4/c1-14(27-20-12-16(26)4-5-19(20)25)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119268
PNG
(US8673906, 3.28 | US9718800, 3.28)
Show SMILES CC(Nc1cc(Cl)ccc1C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C25H28ClN3O4/c1-15-5-6-18(26)13-21(15)27-16(2)19-11-17(25(31)28(3)4)12-20-22(30)14-23(33-24(19)20)29-7-9-32-10-8-29/h5-6,11-14,16,27H,7-10H2,1-4H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119270
PNG
(US8673906, 3.3 | US9718800, 3.30)
Show SMILES COc1cc(F)cc(NC(C)c2cc(cc3c2oc(cc3=O)N2CCOCC2)C(=O)N(C)C)c1
Show InChI InChI=1S/C25H28FN3O5/c1-15(27-18-11-17(26)12-19(13-18)32-4)20-9-16(25(31)28(2)3)10-21-22(30)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,27H,5-8H2,1-4H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119274
PNG
(US8673906, 3.34 | US9718800, 3.34)
Show SMILES CC(Nc1cc(F)cc(c1)C#C)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
Show InChI InChI=1S/C26H26FN3O4/c1-5-17-10-19(27)14-20(11-17)28-16(2)21-12-18(26(32)29(3)4)13-22-23(31)15-24(34-25(21)22)30-6-8-33-9-7-30/h1,10-16,28H,6-9H2,2-4H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119282
PNG
(US8673906, 4.01 | US9718800, 4.01)
Show SMILES CCN(CC)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29F2N3O4/c1-4-30(5-2)26(33)17-10-21(16(3)29-20-13-18(27)12-19(28)14-20)25-22(11-17)23(32)15-24(35-25)31-6-8-34-9-7-31/h10-16,29H,4-9H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119283
PNG
(US8673906, 4.02 | US9718800, 4.02)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C26H27F2N3O4/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)31-4-2-3-5-31)11-22-23(32)15-24(35-25(21)22)30-6-8-34-9-7-30/h10-16,29H,2-9H2,1H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119284
PNG
(US8673906, 4.03 | US9718800, 4.03)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H30F2N4O4/c1-17(30-21-14-19(28)13-20(29)15-21)22-11-18(27(35)33-5-3-31(2)4-6-33)12-23-24(34)16-25(37-26(22)23)32-7-9-36-10-8-32/h11-17,30H,3-10H2,1-2H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119285
PNG
(US8673906, 4.04 | US9718800, 4.04)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCNCC1
Show InChI InChI=1S/C26H28F2N4O4/c1-16(30-20-13-18(27)12-19(28)14-20)21-10-17(26(34)32-4-2-29-3-5-32)11-22-23(33)15-24(36-25(21)22)31-6-8-35-9-7-31/h10-16,29-30H,2-9H2,1H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119287
PNG
(US8673906, 4.06 | US9718800, 4.06)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCCCCC1
Show InChI InChI=1S/C28H31F2N3O4/c1-18(31-22-15-20(29)14-21(30)16-22)23-12-19(28(35)33-6-4-2-3-5-7-33)13-24-25(34)17-26(37-27(23)24)32-8-10-36-11-9-32/h12-18,31H,2-11H2,1H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119288
PNG
(US8673906, 4.07 | US9718800, 4.07)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)CCO
Show InChI InChI=1S/C25H27F2N3O5/c1-15(28-19-12-17(26)11-18(27)13-19)20-9-16(25(33)29(2)3-6-31)10-21-22(32)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,28,31H,3-8H2,1-2H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119293
PNG
(US8673906, 4.12 | US9718800, 4.12)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CC(O)C1
Show InChI InChI=1S/C25H25F2N3O5/c1-14(28-18-9-16(26)8-17(27)10-18)20-6-15(25(33)30-12-19(31)13-30)7-21-22(32)11-23(35-24(20)21)29-2-4-34-5-3-29/h6-11,14,19,28,31H,2-5,12-13H2,1H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119295
PNG
(US8673906, 4.14 | US9718800, 4.14)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCCO
Show InChI InChI=1S/C24H25F2N3O5/c1-14(28-18-11-16(25)10-17(26)12-18)19-8-15(24(32)27-2-5-30)9-20-21(31)13-22(34-23(19)20)29-3-6-33-7-4-29/h8-14,28,30H,2-7H2,1H3,(H,27,32)
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119296
PNG
(US8673906, 4.15 | US9718800, 4.15)
Show SMILES COCCNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N3O5/c1-15(29-19-12-17(26)11-18(27)13-19)20-9-16(25(32)28-3-6-33-2)10-21-22(31)14-23(35-24(20)21)30-4-7-34-8-5-30/h9-15,29H,3-8H2,1-2H3,(H,28,32)
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119299
PNG
(US8673906, 4.18 | US9718800, 4.18)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)NCCF
Show InChI InChI=1S/C24H24F3N3O4/c1-14(29-18-11-16(26)10-17(27)12-18)19-8-15(24(32)28-3-2-25)9-20-21(31)13-22(34-23(19)20)30-4-6-33-7-5-30/h8-14,29H,2-7H2,1H3,(H,28,32)
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119302
PNG
(US8673906, 4.21 | US9718800, 4.21)
Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C27H29F2N3O5/c1-16(30-20-12-18(28)11-19(29)13-20)22-9-17(27(35)32-4-2-3-21(32)15-33)10-23-24(34)14-25(37-26(22)23)31-5-7-36-8-6-31/h9-14,16,21,30,33H,2-8,15H2,1H3/t16?,21-/m0/s1
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119303
PNG
(US8673906, 4.22 | US9718800, 4.22)
Show SMILES CNC(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-13(27-17-10-15(24)9-16(25)11-17)18-7-14(23(30)26-2)8-19-20(29)12-21(32-22(18)19)28-3-5-31-6-4-28/h7-13,27H,3-6H2,1-2H3,(H,26,30)
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119305
PNG
(US8673906, 4.24 | US9718800, 4.24)
Show SMILES COCCN(C)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H29F2N3O5/c1-16(29-20-13-18(27)12-19(28)14-20)21-10-17(26(33)30(2)4-7-34-3)11-22-23(32)15-24(36-25(21)22)31-5-8-35-9-6-31/h10-16,29H,4-9H2,1-3H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

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


(Homo sapiens (human))
BDBM119307
PNG
(US8673906, 4.26 | US9718800, 4.26)
Show SMILES COC1CCN(CC1)C(=O)c1cc(C(C)Nc2cc(F)cc(F)c2)c2oc(cc(=O)c2c1)N1CCOCC1
Show InChI InChI=1S/C28H31F2N3O5/c1-17(31-21-14-19(29)13-20(30)15-21)23-11-18(28(35)33-5-3-22(36-2)4-6-33)12-24-25(34)16-26(38-27(23)24)32-7-9-37-10-8-32/h11-17,22,31H,3-10H2,1-2H3
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n/an/a 4n/an/an/an/an/a25



ASTRAZENECA AB

US Patent


Assay Description
Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3Kβ was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 m...


US Patent US9718800 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264224
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-22(36-12-10-34(3)11-13-36)25(37)30-20-9-7-8-18-19(15-28-24(18)20)23-17(2)14-29-27(32-23)31-21-16-35(4)33-26(21)38-5/h7-9,14-16,22,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264229
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F
Show InChI InChI=1S/C26H32FN9O/c1-5-22(36-11-9-34(3)10-12-36)25(37)30-20-8-6-7-17-18(13-28-24(17)20)23-19(27)14-29-26(32-23)31-21-15-35(4)33-16(21)2/h6-8,13-15,22,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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n/an/a<4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264240
PNG
((2R)-3-Methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O3/c1-33-10-12-35(13-11-33)22(16-37-3)24(36)29-20-7-5-6-17-18(14-28-23(17)20)19-8-9-27-26(30-19)31-21-15-34(2)32-25(21)38-4/h5-9,14-15,22,28H,10-13,16H2,1-4H3,(H,29,36)(H,27,30,31)/t22-/m1/s1
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n/an/a 4n/an/an/an/a7.3n/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
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