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Patent code US10435414

Compile Data Set for Download or QSAR

Found 215 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase class I


(Homo sapiens (Human))
BDBM272938
PNG
((S)-2-((1-(4-(1H- 1,2,4-triazol-3- yl)phenyl)-7,8,...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O
Show InChI InChI=1S/C22H22N6O3/c1-13(20(23)29)31-16-10-17-19-18(11-16)30-9-3-2-8-28(19)22(26-17)15-6-4-14(5-7-15)21-24-12-25-27-21/h4-7,10-13H,2-3,8-9H2,1H3,(H2,23,29)(H,24,25,27)/t13-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM414902
PNG
((S)-2-((1-(2- aminobenzo [d]oxazol-5- yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1
Show InChI InChI=1S/C23H24N6O3/c24-21(30)19(12-3-4-12)26-14-10-16-20-18(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-17-15(9-13)28-23(25)32-17/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272941
PNG
((S)-2-((1-(2- Aminobenzo[d]thiazol- 5-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2sc(N)nc2c1)C1CC1
Show InChI InChI=1S/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-18-15(9-13)28-23(25)32-18/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM415047
PNG
((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...)
Show SMILES COC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(O)=O
Show InChI InChI=1S/C21H21N5O5S/c1-29-10-16(20(27)28)31-11-8-14-17-15(9-11)30-7-3-2-6-26(17)18(23-14)12-4-5-13-19(24-12)32-21(22)25-13/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H2,22,25)(H,27,28)/t16-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272960
PNG
((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(N)=O
Show InChI InChI=1S/C20H20N6O3S/c1-10(17(21)27)29-11-8-14-16-15(9-11)28-7-3-2-6-26(16)18(23-14)12-4-5-13-19(24-12)30-20(22)25-13/h4-5,8-10H,2-3,6-7H2,1H3,(H2,21,27)(H2,22,25)/t10-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272956
PNG
((S)-2-((1-(2-amino-4,7- difluorobenzo[d]oxazol- 5-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1F)C(N)=O
Show InChI InChI=1S/C21H19F2N5O4/c1-9(19(24)29)31-10-6-13-17-14(7-10)30-5-3-2-4-28(17)20(26-13)11-8-12(22)18-16(15(11)23)27-21(25)32-18/h6-9H,2-5H2,1H3,(H2,24,29)(H2,25,27)/t9-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM273000
PNG
((S)-2-cyclopropyl-2- ((1-(3-fluoro-4-(1H- 1,2,4-tr...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2ncn[nH]2)c(F)c1)C1CC1
Show InChI InChI=1S/C24H23FN6O3/c25-17-9-14(5-6-16(17)23-27-12-28-30-23)24-29-18-10-15(34-21(22(26)32)13-3-4-13)11-19-20(18)31(24)7-1-2-8-33-19/h5-6,9-13,21H,1-4,7-8H2,(H2,26,32)(H,27,28,30)/t21-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272984
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C1CC1
Show InChI InChI=1S/C23H22FN5O4/c24-14-7-12(8-16-20(14)33-23(26)28-16)22-27-15-9-13(32-19(21(25)30)11-3-4-11)10-17-18(15)29(22)5-1-2-6-31-17/h7-11,19H,1-6H2,(H2,25,30)(H2,26,28)/t19-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272959
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C22H23FN6O3/c1-11(20(24)30)28(2)13-9-15-18-17(10-13)31-6-4-3-5-29(18)21(26-15)12-7-14(23)19-16(8-12)27-22(25)32-19/h7-11H,3-6H2,1-2H3,(H2,24,30)(H2,25,27)/t11-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272991
PNG
((S)-2-((1-(5-(1H-1,2,4- triazol-5-yl)pyridin-2- yl...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cn1)-c1ncn[nH]1)C(N)=O
Show InChI InChI=1S/C21H21N7O3/c1-12(19(22)29)31-14-8-16-18-17(9-14)30-7-3-2-6-28(18)21(26-16)15-5-4-13(10-23-15)20-24-11-25-27-20/h4-5,8-12H,2-3,6-7H2,1H3,(H2,22,29)(H,24,25,27)/t12-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272975
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C1CC1
Show InChI InChI=1S/C23H22FN5O3S/c24-14-7-12(8-17-18(14)28-23(26)33-17)22-27-15-9-13(32-20(21(25)30)11-3-4-11)10-16-19(15)29(22)5-1-2-6-31-16/h7-11,20H,1-6H2,(H2,25,30)(H2,26,28)/t20-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272945
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10- ...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C23H24N6O3/c24-21(30)17-4-3-8-28(17)14-11-16-20-19(12-14)31-9-2-1-7-29(20)22(26-16)13-5-6-18-15(10-13)27-23(25)32-18/h5-6,10-12,17H,1-4,7-9H2,(H2,24,30)(H2,25,27)/t17-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272939
PNG
((S)-2-((1-(2- aminoquinoxalin-6- yl)-7,8,9,10- tet...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)cnc2c1)C(N)=O
Show InChI InChI=1S/C22H22N6O3/c1-12(21(24)29)31-14-9-17-20-18(10-14)30-7-3-2-6-28(20)22(27-17)13-4-5-15-16(8-13)25-11-19(23)26-15/h4-5,8-12H,2-3,6-7H2,1H3,(H2,23,26)(H2,24,29)/t12-/m0/s1
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Genentech, Inc.

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Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272937
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C(N)=O
Show InChI InChI=1S/C21H20FN5O3S/c1-10(19(23)28)30-12-8-14-18-15(9-12)29-5-3-2-4-27(18)20(25-14)11-6-13(22)17-16(7-11)31-21(24)26-17/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272865
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-8,9-dihy...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1
Show InChI InChI=1S/C22H22N6O2S/c23-20(29)18(11-2-3-11)25-13-9-15-19-16(10-13)30-7-1-6-28(19)21(26-15)12-4-5-14-17(8-12)31-22(24)27-14/h4-5,8-11,18,25H,1-3,6-7H2,(H2,23,29)(H2,24,27)/t18-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272936
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1F)C(N)=O
Show InChI InChI=1S/C21H20FN5O4/c1-10(19(23)28)30-11-8-13-18-15(9-11)29-7-3-2-6-27(18)20(25-13)12-4-5-14-17(16(12)22)26-21(24)31-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272903
PNG
((S)-2-((2-(2- aminobenzo[d]oxazol- 5-yl)-3,4-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1
Show InChI InChI=1S/C21H20N6O3/c22-19(28)17(10-1-2-10)24-12-8-14-18-16(9-12)29-6-5-27(18)20(25-14)11-3-4-15-13(7-11)26-21(23)30-15/h3-4,7-10,17,24H,1-2,5-6H2,(H2,22,28)(H2,23,26)/t17-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272944
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C21H20FN5O4/c1-10(19(23)28)30-12-8-14-17-16(9-12)29-5-3-2-4-27(17)20(25-14)11-6-13(22)18-15(7-11)26-21(24)31-18/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272949
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C22H24N6O3/c1-12(20(23)29)27(2)14-10-16-19-18(11-14)30-8-4-3-7-28(19)21(25-16)13-5-6-17-15(9-13)26-22(24)31-17/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,23,29)(H2,24,26)/t12-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272964
PNG
((S)-2-((1-(3-fluoro-4- (1H-1,2,4-triazol-3- yl)phe...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2nc[nH]n2)c(F)c1)C(N)=O
Show InChI InChI=1S/C22H21FN6O3/c1-12(20(24)30)32-14-9-17-19-18(10-14)31-7-3-2-6-29(19)22(27-17)13-4-5-15(16(23)8-13)21-25-11-26-28-21/h4-5,8-12H,2-3,6-7H2,1H3,(H2,24,30)(H,25,26,28)/t12-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272967
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C22H22FN5O4/c1-2-16(20(24)29)31-12-9-14-18-17(10-12)30-6-4-3-5-28(18)21(26-14)11-7-13(23)19-15(8-11)27-22(25)32-19/h7-10,16H,2-6H2,1H3,(H2,24,29)(H2,25,27)/t16-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272979
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1
Show InChI InChI=1S/C23H23N5O4/c24-21(29)20(12-3-4-12)31-14-10-16-19-18(11-14)30-8-2-1-7-28(19)22(26-16)13-5-6-17-15(9-13)27-23(25)32-17/h5-6,9-12,20H,1-4,7-8H2,(H2,24,29)(H2,25,27)/t20-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272989
PNG
((2R,3S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,...)
Show SMILES NC(=O)[C@@H]1[C@@H](F)CCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C23H23FN6O3/c24-14-5-7-29(19(14)21(25)31)13-10-16-20-18(11-13)32-8-2-1-6-30(20)22(27-16)12-3-4-17-15(9-12)28-23(26)33-17/h3-4,9-11,14,19H,1-2,5-8H2,(H2,25,31)(H2,26,28)/t14-,19-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM414935
PNG
((S)-2-((1- (2-amino- benzo[d] oxazol-5-yl)- 7,8,9,...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C21H21N5O4/c1-11(19(22)27)29-13-9-15-18-17(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-16-14(8-12)25-21(23)30-16/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272966
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C22H23N5O4/c1-2-16(20(23)28)30-13-10-15-19-18(11-13)29-8-4-3-7-27(19)21(25-15)12-5-6-17-14(9-12)26-22(24)31-17/h5-6,9-11,16H,2-4,7-8H2,1H3,(H2,23,28)(H2,24,26)/t16-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM273002
PNG
((S)-2-((1-(5-fluoro-6- (1H-1,2,4-triazol-5- yl)pyr...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cnc(-c2ncn[nH]2)c(F)c1)C(N)=O
Show InChI InChI=1S/C21H20FN7O3/c1-11(19(23)30)32-13-7-15-18-16(8-13)31-5-3-2-4-29(18)21(27-15)12-6-14(22)17(24-9-12)20-25-10-26-28-20/h6-11H,2-5H2,1H3,(H2,23,30)(H,25,26,28)/t11-/m0/s1
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272963
PNG
((S)-2-((1-(4-(1H-1,2,4- triazol-3-yl)phenyl)- 7,8,...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O
Show InChI InChI=1S/C23H24N6O3/c1-2-18(21(24)30)32-16-11-17-20-19(12-16)31-10-4-3-9-29(20)23(27-17)15-7-5-14(6-8-15)22-25-13-26-28-22/h5-8,11-13,18H,2-4,9-10H2,1H3,(H2,24,30)(H,25,26,28)/t18-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272988
PNG
((S)-2-((1-(2-fluoro-4- (1H-1,2,4-triazol-5- yl)phe...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1F)-c1ncn[nH]1)C(N)=O
Show InChI InChI=1S/C22H21FN6O3/c1-12(20(24)30)32-14-9-17-19-18(10-14)31-7-3-2-6-29(19)22(27-17)15-5-4-13(8-16(15)23)21-25-11-26-28-21/h4-5,8-12H,2-3,6-7H2,1H3,(H2,24,30)(H,25,26,28)/t12-/m0/s1
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0.0220n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM414979
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-7...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1F)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C23H23FN6O3/c24-18-15(29-8-3-4-14(29)21(25)31)11-17-20-19(18)28-22(30(20)7-1-2-9-32-17)12-5-6-16-13(10-12)27-23(26)33-16/h5-6,10-11,14H,1-4,7-9H2,(H2,25,31)(H2,26,27)/t14-/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272987
PNG
((S)-2-((1-(3- aminobenzo[e][1,2,4]tri- azin-7-yl)-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)nnc2c1)C(N)=O
Show InChI InChI=1S/C21H21N7O3/c1-11(19(22)29)31-13-9-16-18-17(10-13)30-7-3-2-6-28(18)20(24-16)12-4-5-14-15(8-12)26-27-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,29)(H2,23,25,27)/t11-/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272889
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-8...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCn3c(nc(c1F)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C22H21FN6O3/c23-17-14(28-6-1-3-13(28)20(24)30)10-16-19-18(17)27-21(29(19)7-2-8-31-16)11-4-5-15-12(9-11)26-22(25)32-15/h4-5,9-10,13H,1-3,6-8H2,(H2,24,30)(H2,25,26)/t13-/m0/s1
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0.0260n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272976
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1
Show InChI InChI=1S/C23H23N5O3S/c24-21(29)20(12-3-4-12)31-14-10-16-19-17(11-14)30-8-2-1-7-28(19)22(26-16)13-5-6-15-18(9-13)32-23(25)27-15/h5-6,9-12,20H,1-4,7-8H2,(H2,24,29)(H2,25,27)/t20-/m0/s1
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0.0270n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272943
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C(N)=O
Show InChI InChI=1S/C21H21N5O3S/c1-11(19(22)27)29-13-9-15-18-16(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-14-17(8-12)30-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272965
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]oxazol- 5-yl)-...)
Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1F)C(N)=O
Show InChI InChI=1S/C22H23FN6O3/c1-11(20(24)30)28(2)12-9-14-19-16(10-12)31-8-4-3-7-29(19)21(26-14)13-5-6-15-18(17(13)23)27-22(25)32-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,24,30)(H2,25,27)/t11-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM415043
PNG
((S)-2-(4-(1-(2- aminooxazolo[4,5- b]pyridin-5-yl)-...)
Show SMILES CC[C@@H](C(N)=O)n1cc(cn1)-c1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2n1
Show InChI InChI=1S/C23H22N8O3/c1-2-16(20(24)32)31-11-13(10-26-31)12-8-15-19-18(9-12)33-7-3-6-30(19)22(28-15)14-4-5-17-21(27-14)29-23(25)34-17/h4-5,8-11,16H,2-3,6-7H2,1H3,(H2,24,32)(H2,25,27,29)/t16-/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272940
PNG
((R)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C21H21N5O4/c1-11(19(22)27)29-13-9-15-18-17(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-16-14(8-12)25-21(23)30-16/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m1/s1
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0.0320n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272800
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-dihyd...)
Show SMILES C[C@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C20H20N6O3/c1-10(18(21)27)23-12-8-14-17-16(9-12)28-6-2-5-26(17)19(24-14)11-3-4-15-13(7-11)25-20(22)29-15/h3-4,7-10,23H,2,5-6H2,1H3,(H2,21,27)(H2,22,25)/t10-/m0/s1
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0.0320n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272934
PNG
((S)-1-(1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10-...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C23H24N6O2S/c24-21(30)17-4-3-8-28(17)14-11-16-20-18(12-14)31-9-2-1-7-29(20)22(26-16)13-5-6-15-19(10-13)32-23(25)27-15/h5-6,10-12,17H,1-4,7-9H2,(H2,24,30)(H2,25,27)/t17-/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272996
PNG
((S)-2-(4-(1-(2- aminooxazolo[4,5- b]pyridin-5-yl)-...)
Show SMILES CC[C@@H](C(N)=O)n1cc(cn1)-c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2n1
Show InChI InChI=1S/C24H24N8O3/c1-2-17(21(25)33)32-12-14(11-27-32)13-9-16-20-19(10-13)34-8-4-3-7-31(20)23(29-16)15-5-6-18-22(28-15)30-24(26)35-18/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,28,30)/t17-/m0/s1
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0.0380n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM415044
PNG
((R)-2-(4-(1-(2- aminooxazolo[4,5- b]pyridin-5-yl)-...)
Show SMILES CC[C@H](C(N)=O)n1cc(cn1)-c1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2n1
Show InChI InChI=1S/C23H22N8O3/c1-2-16(20(24)32)31-11-13(10-26-31)12-8-15-19-18(9-12)33-7-3-6-30(19)22(28-15)14-4-5-17-21(27-14)29-23(25)34-17/h4-5,8-11,16H,2-3,6-7H2,1H3,(H2,24,32)(H2,25,27,29)/t16-/m1/s1
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0.0390n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM273003
PNG
((2S,3S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-di...)
Show SMILES C[C@H]1CCN([C@@H]1C(N)=O)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C24H26N6O3/c1-13-6-8-29(20(13)22(25)31)15-11-17-21-19(12-15)32-9-3-2-7-30(21)23(27-17)14-4-5-18-16(10-14)28-24(26)33-18/h4-5,10-13,20H,2-3,6-9H2,1H3,(H2,25,31)(H2,26,28)/t13-,20-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272995
PNG
((2S,3R)-1-(1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9...)
Show SMILES CO[C@@H]1CCN([C@@H]1C(N)=O)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C24H26N6O3S/c1-32-17-6-8-29(21(17)22(25)31)14-11-16-20-18(12-14)33-9-3-2-7-30(20)23(27-16)13-4-5-15-19(10-13)34-24(26)28-15/h4-5,10-12,17,21H,2-3,6-9H2,1H3,(H2,25,31)(H2,26,28)/t17-,21+/m1/s1
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0.0450n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272933
PNG
((S)-2-(((R)-2-(2- aminobenzo[d]oxazol- 5-yl)-4-met...)
Show SMILES C[C@@H]1Cn2c(nc3cc(N[C@@H](C4CC4)C(N)=O)cc(O1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C22H22N6O3/c1-10-9-28-19-15(26-21(28)12-4-5-16-14(6-12)27-22(24)31-16)7-13(8-17(19)30-10)25-18(20(23)29)11-2-3-11/h4-8,10-11,18,25H,2-3,9H2,1H3,(H2,23,29)(H2,24,27)/t10-,18+/m1/s1
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0.0450n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272968
PNG
((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C(N)=O
Show InChI InChI=1S/C22H22FN5O3S/c1-2-15(20(24)29)31-12-9-14-19-16(10-12)30-6-4-3-5-28(19)21(26-14)11-7-13(23)18-17(8-11)32-22(25)27-18/h7-10,15H,2-6H2,1H3,(H2,24,29)(H2,25,27)/t15-/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272990
PNG
((S)-2-((1-(2,5-difluoro- 4-(1H-1,2,4-triazol-5- yl...)
Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c(cc1F)-c1ncn[nH]1)C(N)=O
Show InChI InChI=1S/C23H22F2N6O3/c1-2-18(21(26)32)34-12-7-17-20-19(8-12)33-6-4-3-5-31(20)23(29-17)14-10-15(24)13(9-16(14)25)22-27-11-28-30-22/h7-11,18H,2-6H2,1H3,(H2,26,32)(H,27,28,30)/t18-/m0/s1
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0.0530n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272882
PNG
((S)-2-((1-(2- aminoquinoxalin-6- yl)-8,9-dihydro-7...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2nc(N)cnc2c1)C1CC1
Show InChI InChI=1S/C23H23N7O2/c24-19-11-26-16-8-13(4-5-15(16)28-19)23-29-17-9-14(27-20(22(25)31)12-2-3-12)10-18-21(17)30(23)6-1-7-32-18/h4-5,8-12,20,27H,1-3,6-7H2,(H2,24,28)(H2,25,31)/t20-/m0/s1
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0.0560n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272994
PNG
((R)-2-(4-(1-(2- aminothiazolo[5,4- b]pyridin-5-yl)...)
Show SMILES CC[C@H](C(N)=O)n1cc(cn1)-c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1
Show InChI InChI=1S/C24H24N8O2S/c1-2-18(21(25)33)32-12-14(11-27-32)13-9-17-20-19(10-13)34-8-4-3-7-31(20)22(28-17)15-5-6-16-23(29-15)35-24(26)30-16/h5-6,9-12,18H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,30)/t18-/m1/s1
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0.0610n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272980
PNG
((S)-2-((1-(2-amino-7- fluorobenzo[d]thiazol- 5-yl)...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2sc(N)nc2c1)C(N)=O
Show InChI InChI=1S/C21H20FN5O3S/c1-10(19(23)28)30-12-8-14-17-16(9-12)29-5-3-2-4-27(17)20(25-14)11-6-13(22)18-15(7-11)26-21(24)31-18/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272993
PNG
((S)-2-(4-(1-(2- aminothiazolo[5,4- b]pyridin-5-yl)...)
Show SMILES CC[C@@H](C(N)=O)n1cc(cn1)-c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1
Show InChI InChI=1S/C24H24N8O2S/c1-2-18(21(25)33)32-12-14(11-27-32)13-9-17-20-19(10-13)34-8-4-3-7-31(20)22(28-17)15-5-6-16-23(29-15)35-24(26)30-16/h5-6,9-12,18H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,30)/t18-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
PI3-kinase class I


(Homo sapiens (Human))
BDBM272799
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-dihydr...)
Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1
Show InChI InChI=1S/C22H22N6O3/c23-20(29)16-3-1-6-27(16)13-10-15-19-18(11-13)30-8-2-7-28(19)21(25-15)12-4-5-17-14(9-12)26-22(24)31-17/h4-5,9-11,16H,1-3,6-8H2,(H2,23,29)(H2,24,26)/t16-/m0/s1
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0.0710n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%