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Compile Data Set for Download or QSAR

Found 1209 hits with Last Name = 'greasley' and Initial = 's'   
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 alpha isoform


(Homo sapiens (Human))
BDBM50336407
PNG
(4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5...)
Show SMILES Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1
Show InChI InChI=1S/C18H16N6O/c1-9-5-13-15(22-10(2)23-16(13)19)14(6-9)18(25)24-12-7-11-3-4-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387593
PNG
(CHEMBL2057726)
Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
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0.436n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336406
PNG
(4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quina...)
Show SMILES Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1
Show InChI InChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336405
PNG
(4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoli...)
Show SMILES Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1
Show InChI InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336410
PNG
(4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquin...)
Show SMILES COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1
Show InChI InChI=1S/C17H17N5O2/c1-9-6-12-15(20-10(2)21-16(12)18)13(7-9)17(23)22-11-4-5-14(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361649
PNG
(CHEMBL1938415)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361648
PNG
(CHEMBL1940246)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361642
PNG
(CHEMBL1940251)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327904
PNG
(2-amino-4-methyl-6-(1H-pyrazol-3-yl)-8-(tetrahydro...)
Show SMILES Cc1nc(N)nc2n(C3CCOCC3)c(=O)c(nc12)-c1cc[nH]n1
Show InChI InChI=1S/C15H17N7O2/c1-8-11-13(20-15(16)18-8)22(9-3-6-24-7-4-9)14(23)12(19-11)10-2-5-17-21-10/h2,5,9H,3-4,6-7H2,1H3,(H,17,21)(H2,16,18,20)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327907
PNG
(CHEMBL1257295 | trans-2-amino-8-(4-hydroxycyclohex...)
Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:21.23,wD:18.19,(6.09,-29.48,;4.76,-30.26,;4.77,-31.8,;3.44,-32.58,;2.1,-31.81,;2.09,-30.28,;3.42,-29.5,;.78,-32.59,;-.55,-31.83,;-1.88,-32.6,;-3.22,-31.84,;-3.22,-30.3,;-4.54,-32.61,;-4.55,-34.15,;-5.88,-34.92,;-3.21,-34.92,;-1.88,-34.14,;-.54,-34.91,;-.54,-36.45,;-1.87,-37.22,;-1.87,-38.76,;-.54,-39.53,;-.54,-41.07,;.79,-38.76,;.8,-37.22,;.79,-34.14,;2.13,-34.9,)|
Show InChI InChI=1S/C19H22N6O2/c1-10-3-4-12(9-21-10)16-18(27)25(13-5-7-14(26)8-6-13)17-15(23-16)11(2)22-19(20)24-17/h3-4,9,13-14,26H,5-8H2,1-2H3,(H2,20,22,24)/t13-,14-
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0.850n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361641
PNG
(CHEMBL1940247)
Show SMILES CC(C)n1cc(C(=O)c2cncc(n2)N(C)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H28FN7O/c1-15(2)34-13-19(23-25(28)30-14-31-26(23)34)24(35)20-11-29-12-22(32-20)33(3)21-6-4-5-18(21)16-7-9-17(27)10-8-16/h7-15,18,21H,4-6H2,1-3H3,(H2,28,30,31)/t18-,21-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361652
PNG
(CHEMBL1940250)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336418
PNG
(4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)...)
Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22)
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361650
PNG
(CHEMBL1940248)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361644
PNG
(CHEMBL1940253)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H28N8O2/c1-15(2)34-13-18(22-25(27)29-14-30-26(22)34)24(36)20-11-28-12-21(32-20)31-19-9-10-33(16(3)35)23(19)17-7-5-4-6-8-17/h4-8,11-15,19,23H,9-10H2,1-3H3,(H,31,32)(H2,27,29,30)/t19-,23-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361643
PNG
(CHEMBL1940252)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H27FN8O2/c1-14(2)35-12-18(22-25(28)30-13-31-26(22)35)24(37)20-10-29-11-21(33-20)32-19-8-9-34(15(3)36)23(19)16-4-6-17(27)7-5-16/h4-7,10-14,19,23H,8-9H2,1-3H3,(H,32,33)(H2,28,30,31)/t19-,23-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387590
PNG
(CHEMBL2057725 | US8633204, 111)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C19H21N5O2/c1-11-14-9-15(12-7-8-16(26-2)21-10-12)18(25)24(13-5-3-4-6-13)17(14)23-19(20)22-11/h7-10,13H,3-6H2,1-2H3,(H2,20,22,23)
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1.56n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361653
PNG
(CHEMBL1940245)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H27N7O/c1-15(2)32-13-18(22-24(26)28-14-29-25(22)32)23(33)20-11-27-12-21(31-20)30-19-10-6-9-17(19)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,19H,6,9-10H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387582
PNG
(CHEMBL2057736 | US8633204, 196)
Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O
Show InChI InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50361651
PNG
(CHEMBL1940249)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50336404
PNG
(4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazolin...)
Show SMILES Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1
Show InChI InChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387589
PNG
(CHEMBL2057727 | US8633204, 206)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCC2)c1=O
Show InChI InChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)
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3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327894
PNG
(2-amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-me...)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C(C)C)c1=O
Show InChI InChI=1S/C17H19N5O2/c1-9(2)22-15-12(10(3)20-17(18)21-15)7-13(16(22)23)11-5-6-14(24-4)19-8-11/h5-9H,1-4H3,(H2,18,20,21)
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336408
PNG
(4-amino-2,6-dimethyl-N-(1H-pyrazol-4-yl)quinazolin...)
Show SMILES Cc1cc(C(=O)Nc2cn[nH]c2)c2nc(C)nc(N)c2c1
Show InChI InChI=1S/C14H14N6O/c1-7-3-10-12(18-8(2)19-13(10)15)11(4-7)14(21)20-9-5-16-17-6-9/h3-6H,1-2H3,(H,16,17)(H,20,21)(H2,15,18,19)
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327906
PNG
(2-amino-4-methyl-6-(6-methylpyridin-3-yl)-8-(tetra...)
Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n(C2CCOCC2)c1=O
Show InChI InChI=1S/C18H20N6O2/c1-10-3-4-12(9-20-10)15-17(25)24(13-5-7-26-8-6-13)16-14(22-15)11(2)21-18(19)23-16/h3-4,9,13H,5-8H2,1-2H3,(H2,19,21,23)
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50336418
PNG
(4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)...)
Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22)
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327903
PNG
(CHEMBL1258910 | trans-2-amino-8-(4-(2-hydroxyethox...)
Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O |r,wU:18.19,wD:21.26,(6.04,1.56,;4.72,.78,;4.73,-.76,;3.4,-1.53,;2.06,-.77,;2.05,.76,;3.37,1.55,;.74,-1.54,;-.6,-.78,;-1.93,-1.56,;-3.26,-.79,;-3.27,.75,;-4.59,-1.56,;-4.59,-3.11,;-5.93,-3.88,;-3.26,-3.88,;-1.93,-3.1,;-.59,-3.87,;-.59,-5.41,;.75,-6.17,;.75,-7.72,;-.59,-8.49,;-1.92,-7.71,;-1.92,-6.18,;-.59,-10.03,;-1.93,-10.8,;-1.93,-12.34,;-3.26,-13.1,;.74,-3.09,;2.08,-3.86,)|
Show InChI InChI=1S/C21H26N6O3/c1-12-3-4-14(11-23-12)18-20(29)27(15-5-7-16(8-6-15)30-10-9-28)19-17(25-18)13(2)24-21(22)26-19/h3-4,11,15-16,28H,5-10H2,1-2H3,(H2,22,24,26)/t15-,16-
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5.11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336420
PNG
(4-amino-2-methyl-N-(1H-pyrazol-4-yl)quinazoline-8-...)
Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cn[nH]c3)c2n1
Show InChI InChI=1S/C13H12N6O/c1-7-17-11-9(12(14)18-7)3-2-4-10(11)13(20)19-8-5-15-16-6-8/h2-6H,1H3,(H,15,16)(H,19,20)(H2,14,17,18)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327897
PNG
(2-amino-8-isopropyl-4-methyl-6-(1H-pyrazol-5-yl)pt...)
Show SMILES CC(C)n1c2nc(N)nc(C)c2nc(-c2cc[nH]n2)c1=O
Show InChI InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)16-13(14)18-11)17-10(12(20)21)8-4-5-15-19-8/h4-6H,1-3H3,(H,15,19)(H2,14,16,18)
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6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
BDBM34012
PNG
(3-fluorophenylalanine derivative, 21b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C18H17FNO5PS/c19-14-6-3-4-12(8-14)9-15(11-25-26(22,23)24)20-18(21)17-10-13-5-1-2-7-16(13)27-17/h1-8,10,15H,9,11H2,(H,20,21)(H2,22,23,24)/t15-/m1/s1
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6 -45.4n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314714
PNG
((R)-N-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)ben...)
Show SMILES OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.033
BindingDB Entry DOI: 10.7270/Q2GX4BPW
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327905
PNG
(CHEMBL1257177 | trans-2-amino-8-((1r,4r)-4-hydroxy...)
Show SMILES COc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:19.20,wD:22.24,(6.1,-15.1,;4.76,-14.34,;3.43,-15.12,;3.44,-16.66,;2.11,-17.44,;.77,-16.67,;.76,-15.14,;2.09,-14.36,;-.55,-17.45,;-1.88,-16.69,;-3.21,-17.46,;-4.55,-16.7,;-4.55,-15.16,;-5.87,-17.47,;-5.88,-19.01,;-7.21,-19.78,;-4.54,-19.78,;-3.21,-19,;-1.87,-19.77,;-1.87,-21.31,;-.53,-22.08,;-.54,-23.62,;-1.87,-24.39,;-1.87,-25.93,;-3.2,-23.62,;-3.2,-22.08,;-.54,-19,;.8,-19.76,)|
Show InChI InChI=1S/C19H22N6O3/c1-10-15-17(24-19(20)22-10)25(12-4-6-13(26)7-5-12)18(27)16(23-15)11-3-8-14(28-2)21-9-11/h3,8-9,12-13,26H,4-7H2,1-2H3,(H2,20,22,24)/t12-,13-
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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336404
PNG
(4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazolin...)
Show SMILES Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1
Show InChI InChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387588
PNG
(CHEMBL2057728 | US8633204, 205)
Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
BDBM34011
PNG
(3-fluorophenylalanine derivative, 21a)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H19FNO5P/c21-18-7-3-4-14(10-18)11-19(13-27-28(24,25)26)22-20(23)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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8 -44.7n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327896
PNG
(2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4...)
Show SMILES CC(C)n1c2nc(N)nc(C)c2nc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19)
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50361651
PNG
(CHEMBL1940249)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


J Med Chem 54: 8490-500 (2011)


Article DOI: 10.1021/jm201019k
BindingDB Entry DOI: 10.7270/Q23N23TV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387591
PNG
(CHEMBL2057735 | US8633204, 195)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O
Show InChI InChI=1S/C18H20N6O2/c1-11-13-9-14(12-5-6-15(26-2)20-10-12)17(25)24(23-7-3-4-8-23)16(13)22-18(19)21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,21,22)
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50387583
PNG
(CHEMBL2057734)
Show SMILES Cc1nc(N)nc2n(N3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
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10.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056217
PNG
(CHEMBL3353369)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1/C26H21FN2O3/c27-16-10-9-15-11-17(28-23(15)12-16)13-24(26(31)32)29-25(30)14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22,24,28H,13-14H2,(H,29,30)(H,31,32)/t24-/s2
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336417
PNG
(4-amino-N-(6-(dimethylamino)pyridin-3-yl)-2,6-dime...)
Show SMILES CN(C)c1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1
Show InChI InChI=1S/C18H20N6O/c1-10-7-13-16(21-11(2)22-17(13)19)14(8-10)18(25)23-12-5-6-15(20-9-12)24(3)4/h5-9H,1-4H3,(H,23,25)(H2,19,21,22)
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387583
PNG
(CHEMBL2057734)
Show SMILES Cc1nc(N)nc2n(N3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
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12.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50336412
PNG
(4-amino-2-methyl-6-(morpholinomethyl)-N-(1H-pyrazo...)
Show SMILES Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1
Show InChI InChI=1S/C18H21N7O2/c1-11-21-16-13(17(19)22-11)8-12(10-25-4-6-27-7-5-25)9-14(16)18(26)23-15-2-3-20-24-15/h2-3,8-9H,4-7,10H2,1H3,(H2,19,21,22)(H2,20,23,24,26)
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387586
PNG
(CHEMBL2057731 | US8633204, 208)
Show SMILES CC(C)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-12-10(8(3)18-14(15)19-12)4-11(13(20)21)9-5-16-17-6-9/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)
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13.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50336412
PNG
(4-amino-2-methyl-6-(morpholinomethyl)-N-(1H-pyrazo...)
Show SMILES Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1
Show InChI InChI=1S/C18H21N7O2/c1-11-21-16-13(17(19)22-11)8-12(10-25-4-6-27-7-5-25)9-14(16)18(26)23-15-2-3-20-24-15/h2-3,8-9H,4-7,10H2,1H3,(H2,19,21,22)(H2,20,23,24,26)
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by fluorescene polarization assay


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50336407
PNG
(4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5...)
Show SMILES Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1
Show InChI InChI=1S/C18H16N6O/c1-9-5-13-15(22-10(2)23-16(13)19)14(6-9)18(25)24-12-7-11-3-4-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)
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17n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50327901
PNG
(2-amino-8-isopropyl-6-(2-methoxypyrimidin-5-yl)-4-...)
Show SMILES COc1ncc(cn1)-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O
Show InChI InChI=1S/C15H17N7O2/c1-7(2)22-12-10(8(3)19-14(16)21-12)20-11(13(22)23)9-5-17-15(24-4)18-6-9/h5-7H,1-4H3,(H2,16,19,21)
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 6096-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.045
BindingDB Entry DOI: 10.7270/Q2ZK5GWH
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50387593
PNG
(CHEMBL2057726)
Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
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18.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50336420
PNG
(4-amino-2-methyl-N-(1H-pyrazol-4-yl)quinazoline-8-...)
Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cn[nH]c3)c2n1
Show InChI InChI=1S/C13H12N6O/c1-7-17-11-9(12(14)18-7)3-2-4-10(11)13(20)19-8-5-15-16-6-8/h2-6H,1H3,(H,15,16)(H,19,20)(H2,14,17,18)
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 21: 1270-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.026
BindingDB Entry DOI: 10.7270/Q2H1329M
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50387586
PNG
(CHEMBL2057731 | US8633204, 208)
Show SMILES CC(C)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-12-10(8(3)18-14(15)19-12)4-11(13(20)21)9-5-16-17-6-9/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)
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23.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR


Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
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