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PubMed code 22336246

Compile data set for download or QSAR
Found 7 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta HTRF assay


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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Article
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n/an/a 16n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha by HTRF assay


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 44n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta HTRF assay


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma HTRF assay


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50365736
PNG
(CHEMBL1956189)
Show SMILES CCn1\c(=C\c2scc(C)[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O
Show InChI InChI=1S/C20H22N3OS3/c1-5-22-13(3)12-25-16(22)11-17-23(6-2)19(24)18(27-17)20-21(4)14-9-7-8-10-15(14)26-20/h7-12H,5-6H2,1-4H3/q+1/b20-18+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of telomerase


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50365735
PNG
(CHEMBL33859 | MKT-077 | US20230414581, Compound 39)
Show SMILES CCn1\c(=C\c2cccc[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O
Show InChI InChI=1S/C21H22N3OS2/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21/h6-14H,4-5H2,1-3H3/q+1/b21-19+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of telomerase


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics

Curated by ChEMBL


Assay Description
Inhibition of telomerase


Bioorg Med Chem 20: 1947-51 (2012)


Article DOI: 10.1016/j.bmc.2012.01.017
BindingDB Entry DOI: 10.7270/Q21G0MQM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%