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Compile Data Set for Download or QSAR

Found 1005 hits with Last Name = 'heald' and Initial = 'r'   
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
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM50149477
PNG
(CHEMBL3770993 | US8242104, Compound 375)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/s2
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0.0160n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272830
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-dihyd...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272899
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C\C=C(\O[C@@H](C)C(N)=O)/C=c1/nc(-c2ccc3oc(N)nc3c2)n2CCCCO/C=c/1\2 |r,t:31|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272909
PNG
((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...)
Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM273010
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(N)=O |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295675
PNG
(US8242104, Compound 469)
Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F |r|
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Genentech, Inc.

US Patent




US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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<0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295679
PNG
(US8242104, Compound 529)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r|
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Genentech, Inc.

US Patent




US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272942
PNG
((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-7...)
Show SMILES Nc1nc2cc(ccc2o1)-c1nc2c(F)c(cc3OCCCCn1c23)N1CCC[C@H]1C(F)=O |r|
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0.0240n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0260n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0270n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50149477
PNG
(CHEMBL3770993 | US8242104, Compound 375)
Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/s2
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0.0300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay


J Med Chem 59: 985-1002 (2016)


BindingDB Entry DOI: 10.7270/Q2QF8VRV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0300n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295665
PNG
((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
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0.0340n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0350n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0380n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272997
PNG
((R)-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 |r|
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0.0390n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM295670
PNG
((S)-2-((2-((S)-4-(fluoromethyl)-2- oxooxazolidin-3...)
Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O |r|
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Genentech, Inc.

US Patent




US Patent US10112932 (2018)


BindingDB Entry DOI: 10.7270/Q2JQ132B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50433530
PNG
(CHEMBL2381382)
Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1
Show InChI InChI=1S/C21H23N7O2S/c1-12(2)28-19(25-21(22)26-28)20-24-18-15-4-3-13(14-10-23-27(11-14)6-7-29)9-16(15)30-8-5-17(18)31-20/h3-4,9-12,29H,5-8H2,1-2H3,(H2,22,26)
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0.0400n/an/an/an/an/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...


Bioorg Med Chem Lett 23: 2606-13 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.102
BindingDB Entry DOI: 10.7270/Q2W95BKF
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0450n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 |r|
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0.0450n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair
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