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Compile Data Set for Download or QSAR

Found 161 hits Enz. Inhib. hit(s) with Target = 'p110β/p85α'   
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
p110β/p85α


(Homo sapiens (Human))
BDBM50240324
PNG
(CHEMBL4067552)
PDB

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43n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240317
PNG
(CHEMBL4070339)
PDB

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54n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240322
PNG
(CHEMBL4098032)
PDB

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66n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50420714
PNG
(CHEMBL2087474)
Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)
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170n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240326
PNG
(CHEMBL4068727)
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253n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240325
PNG
(CHEMBL4102709)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240318
PNG
(CHEMBL4083480)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240320
PNG
(CHEMBL4088855)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50240323
PNG
(CHEMBL4062315)
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>490n/an/an/an/an/an/an/an/a



Spanish National Cancer Research Centre (CNIO)

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2536-2543 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50230926
PNG
(CHEMBL4083504)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1
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n/an/a 3.90n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL




Eur J Med Chem 127: 509-520 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39DX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50175003
PNG
(CHEMBL3808812)
Show SMILES CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C27H32F2N10O2/c1-2-36-5-7-37(8-6-36)18-13-20(28)23(21(29)14-18)34-27(40)39-4-3-19-22(17-15-31-25(30)32-16-17)33-26(35-24(19)39)38-9-11-41-12-10-38/h13-16H,2-12H2,1H3,(H,34,40)(H2,30,31,32)
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n/an/a 7n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human PI3K p110beta/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinosit...


Bioorg Med Chem 24: 2897-2906 (2016)


BindingDB Entry DOI: 10.7270/Q21J9CQT
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435576
PNG
(CHEMBL2393134)
Show SMILES CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H32F2N8O3/c1-31(2)7-4-12-37-18-6-3-5-17-19(18)27-21(20(25)26)34(17)24-29-22(32-8-13-35-14-9-32)28-23(30-24)33-10-15-36-16-11-33/h3,5-6,20H,4,7-16H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239550
PNG
(CHEMBL4060741)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r|
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239545
PNG
(CHEMBL4092688)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r|
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179449
PNG
(US9675616, 6 2-Amino-N-(8-{[(2S)-2-hydroxy-3-{[(1S...)
Show SMILES COc1c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22|
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19-/s2
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US Patent
n/an/a<10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179448
PNG
(US9675616, 5 rel-2-Amino-N-(8-{[(2R)-2-hydroxy-3-{...)
Show SMILES COc1c(OCC(O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22|
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19?/s2
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n/an/a<10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239546
PNG
(CHEMBL4065004)
Show SMILES CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM179450
PNG
(US9675616, 7 2-Amino-N-(8-{[(2R)-2-hydroxy-3-{[(1S...)
Show SMILES COc1c(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22|
Show InChI InChI=1/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)(H,33,34,37)/t16-,19+/s2
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n/an/a<10n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239557
PNG
(CHEMBL4102634)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCN(C)Cc2ccc(Cl)cc2)c1 |r|
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239540
PNG
(CHEMBL4086230)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r|
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Hangzhou Xixi Hospital

Curated by ChEMBL




Eur J Med Chem 127: 509-520 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39DX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435583
PNG
(CHEMBL2393147)
Show SMILES OCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H25F2N7O4/c22-17(23)18-24-16-14(2-1-3-15(16)34-13-8-31)30(18)21-26-19(28-4-9-32-10-5-28)25-20(27-21)29-6-11-33-12-7-29/h1-3,17,31H,4-13H2
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n/an/a 16n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239551
PNG
(CHEMBL4091365)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r|
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239548
PNG
(CHEMBL4080523)
Show SMILES COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
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n/an/a 24n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435581
PNG
(CHEMBL2393143)
Show SMILES OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H27F2N7O5/c23-18(24)19-25-17-15(2-1-3-16(17)36-13-14(33)12-32)31(19)22-27-20(29-4-8-34-9-5-29)26-21(28-22)30-6-10-35-11-7-30/h1-3,14,18,32-33H,4-13H2
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n/an/a 24n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259445
PNG
(US9512114, 4)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1/C21H20ClN7O2/c1-10(26-19-17(18(23)24-9-25-19)20-28-27-11(2)31-20)15-8-12-4-3-5-14(22)16(12)21(30)29(15)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H3,23,24,25,26)/t10-/s2
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n/an/a 30n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435574
PNG
(CHEMBL2393136)
Show SMILES CN(C)CC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C24H32F2N8O4/c1-31(2)14-16(35)15-38-18-5-3-4-17-19(18)27-21(20(25)26)34(17)24-29-22(32-6-10-36-11-7-32)28-23(30-24)33-8-12-37-13-9-33/h3-5,16,20,35H,6-15H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM139717
PNG
(US8895549, 2 | US9675616, 2 N-(8-{[(2R)-2-hydroxy-...)
Show SMILES COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19|
Show InChI InChI=1/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/s2
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n/an/a 30n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 33n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
p110β/p85α


(Homo sapiens (Human))
BDBM259449
PNG
(US9512114, 8 | US9657007, Example 8)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1/C24H20ClN7O2/c1-13(29-22-20(21(26)27-12-28-22)23-30-14(2)31-34-23)18-11-15-7-6-10-17(25)19(15)24(33)32(18)16-8-4-3-5-9-16/h3-13H,1-2H3,(H3,26,27,28,29)/t13-/s2
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n/an/a 33n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM189408
PNG
(US9670194, Ex. 41 (S)-2-(1-((6-amino-5-(3-methyl-1...)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1/C20H19ClN8O2/c1-9(25-17-15(16(22)23-8-24-17)19-26-10(2)28-31-19)18-27-13-5-3-4-12(21)14(13)20(30)29(18)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H3,22,23,24,25)/t9-/s2
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n/an/a 35n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110β/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as ...


US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM259459
PNG
(US9512114, 24 | US9657007, Example 24)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1/C21H20ClN7O2/c1-10(26-19-17(18(23)24-9-25-19)20-27-11(2)28-31-20)15-8-12-4-3-5-14(22)16(12)21(30)29(15)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H3,23,24,25,26)/t10-/s2
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n/an/a 38n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p1103/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as requ...


US Patent US9512114 (2016)


BindingDB Entry DOI: 10.7270/Q2TT4PWS
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239549
PNG
(CHEMBL4096646)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r|
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239539
PNG
(CHEMBL4088952)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r|
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239553
PNG
(CHEMBL4083582)
Show SMILES CC(C)CN(C)CC1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM139721
PNG
(US8895549, 3 | US9675616, 3 N-(8-{[(2S)-2-hydroxy-...)
Show SMILES COc1c(OC[C@@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19|
Show InChI InChI=1/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)/t17-/s2
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n/an/a>50n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM139715
PNG
(US8895549, Comparative Example 1 | US9675616, 1 N-...)
Show SMILES COc1c(OCC(O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |c:35,t:19|
Show InChI InChI=1/C24H28N6O5/c1-33-21-19(35-15-17(31)14-29-9-11-34-12-10-29)5-4-18-20(21)27-24(30-8-7-26-22(18)30)28-23(32)16-3-2-6-25-13-16/h2-6,13,17,31H,7-12,14-15H2,1H3,(H,27,28,32)
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n/an/a>50n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (G...


US Patent US9675616 (2017)


BindingDB Entry DOI: 10.7270/Q2H41PKX
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239559
PNG
(CHEMBL4073594)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r|
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50360063
PNG
(CHEMBL1928561)
Show SMILES Cc1ccc(cc1S(=O)(=O)N(CCO)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O5S/c1-13-2-3-16(24(26)27)9-18(13)30(28,29)23(6-7-25)21-12-15-11-20-22-5-4-14(10-19)8-17(15)22/h2-5,8-9,11-12,25H,6-7H2,1H3/b21-12+
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n/an/a 51n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435573
PNG
(CHEMBL2393137)
Show SMILES OC(COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)CN1CCOCC1
Show InChI InChI=1S/C26H34F2N8O5/c27-22(28)23-29-21-19(2-1-3-20(21)41-17-18(37)16-33-4-10-38-11-5-33)36(23)26-31-24(34-6-12-39-13-7-34)30-25(32-26)35-8-14-40-15-9-35/h1-3,18,22,37H,4-17H2
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n/an/a 53n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239556
PNG
(CHEMBL4083733)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CN(C)Cc3ccccn3)CC2)c1 |r|
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239547
PNG
(CHEMBL4104746)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r|
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239552
PNG
(CHEMBL4070433)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r|
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435572
PNG
(CHEMBL2393138)
Show SMILES CN(C)CCNc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C23H31F2N9O2/c1-31(2)7-6-26-16-4-3-5-17-18(16)27-20(19(24)25)34(17)23-29-21(32-8-12-35-13-9-32)28-22(30-23)33-10-14-36-15-11-33/h3-5,19,26H,6-15H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435577
PNG
(CHEMBL2393133)
Show SMILES NCCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C22H28F2N8O3/c23-18(24)19-26-17-15(3-1-4-16(17)35-10-2-5-25)32(19)22-28-20(30-6-11-33-12-7-30)27-21(29-22)31-8-13-34-14-9-31/h1,3-4,18H,2,5-14,25H2
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n/an/a 75n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50435575
PNG
(CHEMBL2393135)
Show SMILES FC(F)c1nc2c(OCCCN3CCOCC3)cccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C26H34F2N8O4/c27-22(28)23-29-21-19(3-1-4-20(21)40-12-2-5-33-6-13-37-14-7-33)36(23)26-31-24(34-8-15-38-16-9-34)30-25(32-26)35-10-17-39-18-11-35/h1,3-4,22H,2,5-18H2
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n/an/a 76n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogra...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50209295
PNG
(CHEMBL3884928)
Show SMILES CN(C)CCCN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylin...


Bioorg Med Chem Lett 27: 187-190 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.078
BindingDB Entry DOI: 10.7270/Q2BG2R0D
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239541
PNG
(CHEMBL4064748)
Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50239555
PNG
(CHEMBL4094000)
Show SMILES CC(C)CN(C)C1CCN(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




J Med Chem 60: 5057-5071 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X
More data for this
Ligand-Target Pair
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