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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'mei' and Initial = 'qb'   
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/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50117874
PNG
(CHEMBL3612310)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)
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n/an/a 13n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110alpha/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(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 44n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(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 49n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110alpha/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
FKBP12A/mTOR


(Homo sapiens (Human))
BDBM50117874
PNG
(CHEMBL3612310)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)
PDB

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PubMed
n/an/a 78n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50117874
PNG
(CHEMBL3612310)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)
PDB

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PubMed
n/an/a 90n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110beta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(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
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50117874
PNG
(CHEMBL3612310)
Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110delta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(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
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 478n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of p110beta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay


Bioorg Med Chem 23: 6477-85 (2015)


Article DOI: 10.1016/j.bmc.2015.08.013
BindingDB Entry DOI: 10.7270/Q24J0GX8
More data for this
Ligand-Target Pair