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Compile Data Set for Download or QSAR

Found 4638 hits with Last Name = 'lai' and Initial = 'm'   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50282059
PNG
(CHEMBL433452 | quinuclidine derivative)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cccc2ccccc12 |wD:3.2,(5.68,-6.17,;5.7,-7.71,;7.04,-8.46,;8.37,-7.69,;9.7,-8.46,;11.03,-7.69,;10.21,-6.38,;9.12,-7.48,;8.35,-6.15,;9.69,-5.38,;11.03,-6.15,;4.37,-8.48,;4.37,-10.03,;3.02,-10.8,;1.69,-10.03,;1.69,-8.49,;.37,-7.72,;.36,-6.2,;1.69,-5.42,;3.02,-6.19,;3.02,-7.72,)|
Show InChI InChI=1S/C18H20N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,17H,8-12H2,(H,19,21)/t17-/m0/s1
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>0.00000100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093262
PNG
(CHEMBL131252 | N-(9-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-17(21)20-12-15-9-8-13-6-4-7-14-10-11-16(22-2)19(15)18(13)14/h4,6-7,10-11,15H,3,5,8-9,12H2,1-2H3,(H,20,21)
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0.00800n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093275
PNG
(CHEMBL132802 | N-(9-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES COc1ccc2cccc3CCC(CNC(C)=O)c1c23
Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-7-6-12-4-3-5-13-8-9-15(20-2)17(14)16(12)13/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,18,19)
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0.0100n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207303
PNG
(US9260439, 487)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)C(C)(N)CO |r|
Show InChI InChI=1/C24H35N9O3/c1-15-12-36-9-8-32(15)22-29-18(16-10-27-21(25)28-11-16)17-4-6-33(19(17)30-22)23(2)5-7-31(13-23)20(35)24(3,26)14-34/h10-11,15,34H,4-9,12-14,26H2,1-3H3,(H2,25,27,28)/t15-,23-,24?/s2
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0.0110n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093293
PNG
(CHEMBL336054 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...)
Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23
Show InChI InChI=1S/C19H23NO3/c1-4-17(21)20-11-13-5-8-14-15(22-2)9-6-12-7-10-16(23-3)19(13)18(12)14/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21)
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0.0120n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093286
PNG
(CHEMBL336509 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...)
Show SMILES COc1ccc2ccc(OC)c3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C18H21NO3/c1-11(20)19-10-13-4-7-14-15(21-2)8-5-12-6-9-16(22-3)18(13)17(12)14/h5-6,8-9,13H,4,7,10H2,1-3H3,(H,19,20)
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0.0150n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207169
PNG
(US9260439, 146)
Show SMILES CC1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1/C20H28N8O3S/c1-20(4-6-27(13-20)32(2,29)30)28-5-3-15-16(14-11-22-18(21)23-12-14)24-19(25-17(15)28)26-7-9-31-10-8-26/h11-12H,3-10,13H2,1-2H3,(H2,21,22,23)
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0.0150n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207387
PNG
(US9260439, 271)
Show SMILES CC(C)[C@@H](O)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H34N8O3/c1-15(2)19(33)21(34)31-7-5-24(3,14-31)32-6-4-17-18(16-12-26-22(25)27-13-16)28-23(29-20(17)32)30-8-10-35-11-9-30/h12-13,15,19,33H,4-11,14H2,1-3H3,(H2,25,26,27)/t19-,24+/m1/s1
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0.0160n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093279
PNG
(CHEMBL340832 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23
Show InChI InChI=1S/C20H25NO3/c1-4-5-18(22)21-12-14-6-9-15-16(23-2)10-7-13-8-11-17(24-3)20(14)19(13)15/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,21,22)
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0.0160n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207447
PNG
(US9260439, 331)
Show SMILES C[C@@]1(CCN(C1)C(=O)C1(F)CC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H29FN8O2/c1-22(5-7-31(14-22)19(33)23(24)3-4-23)32-6-2-16-17(15-12-26-20(25)27-13-15)28-21(29-18(16)32)30-8-10-34-11-9-30/h12-13H,2-11,14H2,1H3,(H2,25,26,27)/t22-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207448
PNG
(US9260439, 332)
Show SMILES C[C@@]1(CCN(C1)C(=O)[C@H]1C[C@@H]1F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H29FN8O2/c1-23(3-5-31(13-23)20(33)16-10-17(16)24)32-4-2-15-18(14-11-26-21(25)27-12-14)28-22(29-19(15)32)30-6-8-34-9-7-30/h11-12,16-17H,2-10,13H2,1H3,(H2,25,26,27)/t16-,17-,23-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207449
PNG
(US9260439, 333)
Show SMILES C[C@@]1(CCN(C1)C(=O)[C@@H]1C[C@H]1F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H29FN8O2/c1-23(3-5-31(13-23)20(33)16-10-17(16)24)32-4-2-15-18(14-11-26-21(25)27-12-14)28-22(29-19(15)32)30-6-8-34-9-7-30/h11-12,16-17H,2-10,13H2,1H3,(H2,25,26,27)/t16-,17-,23+/m1/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207451
PNG
(US9260439, 335)
Show SMILES C[C@@]1(CCN(C1)C(=O)[C@H]1C[C@H]1F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H29FN8O2/c1-23(3-5-31(13-23)20(33)16-10-17(16)24)32-4-2-15-18(14-11-26-21(25)27-12-14)28-22(29-19(15)32)30-6-8-34-9-7-30/h11-12,16-17H,2-10,13H2,1H3,(H2,25,26,27)/t16-,17+,23-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207453
PNG
(US9260439, 337)
Show SMILES C[C@@]1(CCN(C1)C(=O)[C@@H]1CC1(F)F)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C23H28F2N8O2/c1-22(3-5-32(13-22)19(34)16-10-23(16,24)25)33-4-2-15-17(14-11-27-20(26)28-12-14)29-21(30-18(15)33)31-6-8-35-9-7-31/h11-12,16H,2-10,13H2,1H3,(H2,26,27,28)/t16-,22-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207457
PNG
(US9260439, 341)
Show SMILES C[C@@]1(CCN(C1)C(=O)C1CCC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C24H32N8O2/c1-24(6-8-31(15-24)21(33)16-3-2-4-16)32-7-5-18-19(17-13-26-22(25)27-14-17)28-23(29-20(18)32)30-9-11-34-12-10-30/h13-14,16H,2-12,15H2,1H3,(H2,25,26,27)/t24-/m0/s1
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207343
PNG
(US9260439, 527)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]12C[C@@H]1CN(C2)C(=O)OC(C)(C)C |r|
Show InChI InChI=1/C25H34N8O3/c1-15-13-35-8-7-32(15)22-29-19(16-10-27-21(26)28-11-16)18-5-6-33(20(18)30-22)25-9-17(25)12-31(14-25)23(34)36-24(2,3)4/h10-11,15,17H,5-9,12-14H2,1-4H3,(H2,26,27,28)/t15-,17+,25+/s2
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207292
PNG
(US9260439, 476)
Show SMILES C[C@@H](N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1/C23H33N9O2/c1-14-12-34-9-8-31(14)22-28-18(16-10-26-21(25)27-11-16)17-4-6-32(19(17)29-22)23(3)5-7-30(13-23)20(33)15(2)24/h10-11,14-15H,4-9,12-13,24H2,1-3H3,(H2,25,26,27)/t14-,15+,23-/s2
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207296
PNG
(US9260439, 480)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@H](N)CF |r|
Show InChI InChI=1/C23H32FN9O2/c1-14-12-35-8-7-32(14)22-29-18(15-10-27-21(26)28-11-15)16-3-5-33(19(16)30-22)23(2)4-6-31(13-23)20(34)17(25)9-24/h10-11,14,17H,3-9,12-13,25H2,1-2H3,(H2,26,27,28)/t14-,17+,23-/s2
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<0.0180n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207300
PNG
(US9260439, 484)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)C(C)(C)CN |r|
Show InChI InChI=1/C25H37N9O2/c1-16-13-36-10-9-33(16)23-30-19(17-11-28-22(27)29-12-17)18-5-7-34(20(18)31-23)25(4)6-8-32(15-25)21(35)24(2,3)14-26/h11-12,16H,5-10,13-15,26H2,1-4H3,(H2,27,28,29)/t16-,25-/s2
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Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207301
PNG
(US9260439, 485)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@@](C)(N)CO |r|
Show InChI InChI=1/C24H35N9O3/c1-15-12-36-9-8-32(15)22-29-18(16-10-27-21(25)28-11-16)17-4-6-33(19(17)30-22)23(2)5-7-31(13-23)20(35)24(3,26)14-34/h10-11,15,34H,4-9,12-14,26H2,1-3H3,(H2,25,27,28)/t15-,23-,24-/s2
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Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
p110alpha-iSH2 p85alpha Complex


(Homo sapiens (Human))
BDBM207302
PNG
(US9260439, 486)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@]1(C)CCN(C1)C(=O)[C@](C)(N)CO |r|
Show InChI InChI=1/C24H35N9O3/c1-15-12-36-9-8-32(15)22-29-18(16-10-27-21(25)28-11-16)17-4-6-33(19(17)30-22)23(2)5-7-31(13-23)20(35)24(3,26)14-34/h10-11,15,34H,4-9,12-14,26H2,1-3H3,(H2,25,27,28)/t15-,23-,24+/s2
PDB

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Assay Description
PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subclone...


US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340337
PNG
(US9758538, Example 25 | US9758538, Example 26 | US...)
Show SMILES CN(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1)C1(CO)CCN(C1)C(=O)OC(C)(C)C
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340348
PNG
(US9758538, Example 36)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)cc(n1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340350
PNG
(US9758538, Example 38)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340358
PNG
(US9758538, Example 46)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)[C@@H]2CC2(F)F)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340368
PNG
(US9758538, Example 56)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CC2)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340376
PNG
(US9758538, Example 64)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340377
PNG
(US9758538, Example 65)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOC[C@@H]1C)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340314
PNG
((Scheme A): Preparation of 2,2-difluoroethyl (3S)-...)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340449
PNG
(US9758538, Example 139)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCCF)c1F)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340450
PNG
(US9758538, Example 140)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)(F)F)c1F)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340459
PNG
(US9758538, Example 149)
Show SMILES Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340464
PNG
(US9758538, Example 154)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340384
PNG
(US9758538, Example 72)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340389
PNG
(US9758538, Example 77)
Show SMILES CCCOC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340401
PNG
(US9758538, Example 89)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)N2CCC2)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340402
PNG
(US9758538, Example 90)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)c2cn[nH]c2)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340404
PNG
(US9758538, Example 92)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340405
PNG
(US9758538, Example 93)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340409
PNG
(US9758538, Example 97)
Show SMILES Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)C2(F)CNC2)nc(n1)N1CCOCC1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340414
PNG
(US9758538, Example 102)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)cc(n1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340423
PNG
(US9758538, Example 111)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC(C)(C)C)c(F)c(n1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340426
PNG
(US9758538, Example 114)
Show SMILES COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340428
PNG
(US9758538, Example 117)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OC2CC2)c(F)c(n1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340429
PNG
(US9758538, Example 118)
Show SMILES CCOC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(n1)-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340430
PNG
(US9758538, Example 119)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c(F)c(n1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340431
PNG
(US9758538, Example 120)
Show SMILES C[C@H]1COCCN1c1nc(N[C@@]2(CO)CCN(C2)C(=O)C2CC2)c(F)c(n1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340317
PNG
(US9758538, Example 5)
Show SMILES COC(=O)N1CCC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340319
PNG
(US9758538, Example 7 | US9758538, Example 8 | US97...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CO)(C1)Oc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM340336
PNG
(US9758538, Example 24)
Show SMILES CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
PDB

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US Patent US9758538 (2017)

More data for this
Ligand-Target Pair
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