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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'knighton' and Initial = 'dr'   
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 gamma isoform


(Homo sapiens (Human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O |r|
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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0.111n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O |r|
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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0.122n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O |r|
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428109
PNG
(CHEMBL2331668 | US8791131, 259)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C23H22N8O2/c1-13(32)30-7-5-16(6-8-30)31-21-19(29(2)23(31)33)12-24-18-4-3-17(27-20(18)21)14-9-15-11-26-28-22(15)25-10-14/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26,28)
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0.191n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428109
PNG
(CHEMBL2331668 | US8791131, 259)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cnc3[nH]ncc3c2)n(C)c1=O
Show InChI InChI=1S/C23H22N8O2/c1-13(32)30-7-5-16(6-8-30)31-21-19(29(2)23(31)33)12-24-18-4-3-17(27-20(18)21)14-9-15-11-26-28-22(15)25-10-14/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26,28)
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0.243n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O |r|
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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0.299n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428111
PNG
(CHEMBL2331666 | US8791131, 153)
Show SMILES COCC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-15-4-5-16(12-25-15)18-6-7-19-22(27-18)23-20(13-26-19)28(2)24(32)30(23)17-8-10-29(11-9-17)21(31)14-33-3/h4-7,12-13,17H,8-11,14H2,1-3H3
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0.377n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428108
PNG
(CHEMBL2331669 | US8791131, 255)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cccc3[nH]ncc23)n(C)c1=O |r|
Show InChI InChI=1S/C25H25N7O3/c1-14(33)24(34)31-10-8-15(9-11-31)32-23-21(30(2)25(32)35)13-26-20-7-6-18(28-22(20)23)16-4-3-5-19-17(16)12-27-29-19/h3-7,12-15,33H,8-11H2,1-2H3,(H,27,29)/t14-/m0/s1
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0.395n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
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 (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428113
PNG
(CHEMBL2331663 | US8791131, 172)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)CO)c3c2n1
Show InChI InChI=1S/C23H24N6O3/c1-14-3-4-15(11-24-14)17-5-6-18-21(26-17)22-19(12-25-18)27(2)23(32)29(22)16-7-9-28(10-8-16)20(31)13-30/h3-6,11-12,16,30H,7-10,13H2,1-2H3
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0.532n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428115
PNG
(CHEMBL2331661 | US8791131, 136)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(C)=O)c3c2n1
Show InChI InChI=1S/C23H24N6O3/c1-14(30)28-10-8-16(9-11-28)29-22-19(27(2)23(29)31)13-24-18-6-5-17(26-21(18)22)15-4-7-20(32-3)25-12-15/h4-7,12-13,16H,8-11H2,1-3H3
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0.542n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428110
PNG
(CHEMBL2331667 | US8791131, 254)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cccc3[nH]ncc23)n(C)c1=O
Show InChI InChI=1S/C24H23N7O2/c1-14(32)30-10-8-15(9-11-30)31-23-21(29(2)24(31)33)13-25-20-7-6-18(27-22(20)23)16-4-3-5-19-17(16)12-26-28-19/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)
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0.584n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428113
PNG
(CHEMBL2331663 | US8791131, 172)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)CO)c3c2n1
Show InChI InChI=1S/C23H24N6O3/c1-14-3-4-15(11-24-14)17-5-6-18-21(26-17)22-19(12-25-18)27(2)23(32)29(22)16-7-9-28(10-8-16)20(31)13-30/h3-6,11-12,16,30H,7-10,13H2,1-2H3
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0.842n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428111
PNG
(CHEMBL2331666 | US8791131, 153)
Show SMILES COCC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C24H26N6O3/c1-15-4-5-16(12-25-15)18-6-7-19-22(27-18)23-20(13-26-19)28(2)24(32)30(23)17-8-10-29(11-9-17)21(31)14-33-3/h4-7,12-13,17H,8-11,14H2,1-3H3
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0.922n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428117
PNG
(CHEMBL2331657)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2n1
Show InChI InChI=1S/C26H22N6O2/c1-26(2,15-27)17-6-8-18(9-7-17)32-24-21(31(3)25(32)33)14-28-20-11-10-19(30-23(20)24)16-5-12-22(34-4)29-13-16/h5-14H,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428107
PNG
(CHEMBL2331664 | PF-04979064 | US8791131, 257)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O |r|
Show InChI InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428110
PNG
(CHEMBL2331667 | US8791131, 254)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cccc3[nH]ncc23)n(C)c1=O
Show InChI InChI=1S/C24H23N7O2/c1-14(32)30-10-8-15(9-11-30)31-23-21(29(2)24(31)33)13-25-20-7-6-18(27-22(20)23)16-4-3-5-19-17(16)12-26-28-19/h3-7,12-13,15H,8-11H2,1-2H3,(H,26,28)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428114
PNG
(CHEMBL2331662 | US8791131, 173)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C23H24N6O2/c1-14-4-5-16(12-24-14)18-6-7-19-21(26-18)22-20(13-25-19)27(3)23(31)29(22)17-8-10-28(11-9-17)15(2)30/h4-7,12-13,17H,8-11H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428118
PNG
(CHEMBL2331659 | US8791131, 134)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3c2n1 |r,wU:20.20,wD:23.24,(32.03,-7.87,;33.36,-7.1,;34.69,-7.87,;34.69,-9.41,;36.03,-10.18,;37.36,-9.41,;37.36,-7.86,;36.02,-7.1,;38.7,-10.18,;38.69,-11.72,;40.02,-12.49,;41.35,-11.71,;42.69,-12.48,;44.03,-11.7,;44.01,-10.15,;45.14,-9.12,;46.65,-9.43,;44.51,-7.72,;45.28,-6.39,;42.99,-7.89,;42.18,-6.59,;40.64,-6.65,;39.83,-5.35,;40.55,-3.98,;39.73,-2.68,;42.09,-3.93,;42.9,-5.23,;42.68,-9.39,;41.35,-10.17,;40.02,-9.41,)|
Show InChI InChI=1S/C22H23N5O3/c1-26-18-12-23-17-9-8-16(13-3-10-19(30-2)24-11-13)25-20(17)21(18)27(22(26)29)14-4-6-15(28)7-5-14/h3,8-12,14-15,28H,4-7H2,1-2H3/t14-,15-
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428115
PNG
(CHEMBL2331661 | US8791131, 136)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(C)=O)c3c2n1
Show InChI InChI=1S/C23H24N6O3/c1-14(30)28-10-8-16(9-11-28)29-22-19(27(2)23(29)31)13-24-18-6-5-17(26-21(18)22)15-4-7-20(32-3)25-12-15/h4-7,12-13,16H,8-11H2,1-3H3
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2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428114
PNG
(CHEMBL2331662 | US8791131, 173)
Show SMILES CC(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2ccc(C)nc2)n(C)c1=O
Show InChI InChI=1S/C23H24N6O2/c1-14-4-5-16(12-24-14)18-6-7-19-21(26-18)22-20(13-25-19)27(3)23(31)29(22)17-8-10-28(11-9-17)15(2)30/h4-7,12-13,17H,8-11H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428108
PNG
(CHEMBL2331669 | US8791131, 255)
Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c2c(cnc3ccc(nc23)-c2cccc3[nH]ncc23)n(C)c1=O |r|
Show InChI InChI=1S/C25H25N7O3/c1-14(33)24(34)31-10-8-15(9-11-31)32-23-21(30(2)25(32)35)13-26-20-7-6-18(28-22(20)23)16-4-3-5-19-17(16)12-27-29-19/h3-7,12-15,33H,8-11H2,1-2H3,(H,27,29)/t14-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50403490
PNG
(CHEMBL312157)
Show SMILES COC(CC(C)C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H41NO6/c1-19(2)16-24(34-4)22-14-13-20(3)28(33,17-22)25(30)26(31)29-15-9-8-12-23(29)27(32)35-18-21-10-6-5-7-11-21/h5-7,10-11,19-20,22-24,33H,8-9,12-18H2,1-4H3/t20-,22-,23+,24?,28+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against FK506 binding protein 12 was determined


Bioorg Med Chem Lett 5: 2489-2494 (1995)


Article DOI: 10.1016/0960-894X(95)00429-W
BindingDB Entry DOI: 10.7270/Q24Q7W66
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428112
PNG
(CHEMBL2331665 | US8791131, 162)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)C(C)(C)O)c3c2n1
Show InChI InChI=1S/C25H28N6O3/c1-15-5-6-16(13-26-15)18-7-8-19-21(28-18)22-20(14-27-19)29(4)24(33)31(22)17-9-11-30(12-10-17)23(32)25(2,3)34/h5-8,13-14,17,34H,9-12H2,1-4H3
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3.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428117
PNG
(CHEMBL2331657)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2n1
Show InChI InChI=1S/C26H22N6O2/c1-26(2,15-27)17-6-8-18(9-7-17)32-24-21(31(3)25(32)33)14-28-20-11-10-19(30-23(20)24)16-5-12-22(34-4)29-13-16/h5-14H,1-4H3
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4.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50428119
PNG
(CHEMBL2331658 | US8791131, 133)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@@H](CC4)OCCO)c3c2n1 |r,wU:20.20,wD:23.27,(17.65,-10.2,;18.98,-9.43,;20.31,-10.2,;20.31,-11.74,;21.64,-12.51,;22.98,-11.74,;22.98,-10.19,;21.64,-9.43,;24.32,-12.51,;24.31,-14.05,;25.64,-14.81,;26.97,-14.04,;28.31,-14.81,;29.65,-14.03,;29.63,-12.48,;30.76,-11.45,;32.27,-11.76,;30.13,-10.05,;30.9,-8.71,;28.61,-10.22,;27.8,-8.92,;26.26,-8.97,;25.44,-7.67,;26.17,-6.31,;27.71,-6.25,;28.52,-7.56,;25.35,-5,;26.07,-3.64,;25.25,-2.34,;25.98,-.97,;28.3,-11.72,;26.97,-12.49,;25.63,-11.73,)|
Show InChI InChI=1S/C24H27N5O4/c1-28-20-14-25-19-9-8-18(15-3-10-21(32-2)26-13-15)27-22(19)23(20)29(24(28)31)16-4-6-17(7-5-16)33-12-11-30/h3,8-10,13-14,16-17,30H,4-7,11-12H2,1-2H3/t16-,17-
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4.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50428116
PNG
(CHEMBL2331660)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C)CC4)c3c2n1
Show InChI InChI=1S/C22H24N6O2/c1-26-10-8-15(9-11-26)28-21-18(27(2)22(28)29)13-23-17-6-5-16(25-20(17)21)14-4-7-19(30-3)24-12-14/h4-7,12-13,15H,8-11H2,1-3H3
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5.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
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
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
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
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
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))
BDBM50428112
PNG
(CHEMBL2331665 | US8791131, 162)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(CC4)C(=O)C(C)(C)O)c3c2n1
Show InChI InChI=1S/C25H28N6O3/c1-15-5-6-16(13-26-15)18-7-8-19-21(28-18)22-20(14-27-19)29(4)24(33)31(22)17-9-11-30(12-10-17)23(32)25(2,3)34/h5-8,13-14,17,34H,9-12H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387592
PNG
(CHEMBL2057729 | US8633204, 212)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CC2)c1=O
Show InChI InChI=1S/C17H17N5O2/c1-9-12-7-13(10-3-6-14(24-2)19-8-10)16(23)22(11-4-5-11)15(12)21-17(18)20-9/h3,6-8,11H,4-5H2,1-2H3,(H2,18,20,21)
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26n/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 (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387587
PNG
(CHEMBL2057730 | US8633204, 211)
Show SMILES Cc1nc(N)nc2n(C3CC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C14H14N6O/c1-7-10-4-11(8-5-16-17-6-8)13(21)20(9-2-3-9)12(10)19-14(15)18-7/h4-6,9H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
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36n/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))
BDBM50428116
PNG
(CHEMBL2331660)
Show SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C)CC4)c3c2n1
Show InChI InChI=1S/C22H24N6O2/c1-26-10-8-15(9-11-26)28-21-18(27(2)22(28)29)13-23-17-6-5-16(25-20(17)21)14-4-7-19(30-3)24-12-14/h4-7,12-13,15H,8-11H2,1-3H3
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47n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin)


ACS Med Chem Lett 4: 91-7 (2013)


Article DOI: 10.1021/ml300309h
BindingDB Entry DOI: 10.7270/Q2HX1F0B
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
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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51.2n/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 FKBP1A


(Homo sapiens (Human))
BDBM50403488
PNG
(CHEMBL81439)
Show SMILES [#6]-[#8]-[#6](\[#6]=[#6](/[#6])-[#6])-[#6@@H]-1-[#6]-[#6]-[#6@@H](-[#6])[C@@]([#8])([#6]-1)[#6](=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#8]-[#6]-c1ccccc1
Show InChI InChI=1S/C28H39NO6/c1-19(2)16-24(34-4)22-14-13-20(3)28(33,17-22)25(30)26(31)29-15-9-8-12-23(29)27(32)35-18-21-10-6-5-7-11-21/h5-7,10-11,16,20,22-24,33H,8-9,12-15,17-18H2,1-4H3/t20-,22-,23+,24?,28+/m1/s1
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68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against FK506 binding protein 12 was determined


Bioorg Med Chem Lett 5: 2489-2494 (1995)


Article DOI: 10.1016/0960-894X(95)00429-W
BindingDB Entry DOI: 10.7270/Q24Q7W66
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
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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76.4n/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 FKBP1A


(Homo sapiens (Human))
BDBM50403487
PNG
(CHEMBL82511)
Show SMILES COC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H35NO6/c1-17-12-13-20(18(2)31-3)15-25(17,30)22(27)23(28)26-14-8-7-11-21(26)24(29)32-16-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-21,30H,7-8,11-16H2,1-3H3/t17-,18?,20-,21+,25+/m1/s1
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81n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against FK506 binding protein 12 was determined


Bioorg Med Chem Lett 5: 2489-2494 (1995)


Article DOI: 10.1016/0960-894X(95)00429-W
BindingDB Entry DOI: 10.7270/Q24Q7W66
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50403489
PNG
(CHEMBL79747)
Show SMILES COC(\C=C/C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H37NO6/c1-4-10-23(33-3)21-15-14-19(2)27(32,17-21)24(29)25(30)28-16-9-8-13-22(28)26(31)34-18-20-11-6-5-7-12-20/h4-7,10-12,19,21-23,32H,8-9,13-18H2,1-3H3/b10-4-/t19-,21-,22+,23?,27+/m1/s1
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112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against FK506 binding protein 12 was determined


Bioorg Med Chem Lett 5: 2489-2494 (1995)


Article DOI: 10.1016/0960-894X(95)00429-W
BindingDB Entry DOI: 10.7270/Q24Q7W66
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50408099
PNG
(CHEMBL57087)
Show SMILES CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCCCCc2ccccc2)CCCCC1
Show InChI InChI=1S/C25H38N2O3/c1-25(16-8-3-9-17-25)20-26-24(29)27-18-10-6-15-22(27)23(28)30-19-11-7-14-21-12-4-2-5-13-21/h2,4-5,12-13,22H,3,6-11,14-20H2,1H3,(H,26,29)/t22-/m0/s1
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120n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12


J Med Chem 39: 1872-84 (1996)


Article DOI: 10.1021/jm950798a
BindingDB Entry DOI: 10.7270/Q2CZ38C2
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50387584
PNG
(CHEMBL2057733)
Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)
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123n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha)


(Mus musculus (Mouse))
BDBM50387585
PNG
(CHEMBL2057732)
Show SMILES CCN(CC)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-4-21(5-2)22-13-11(9(3)19-15(16)20-13)6-12(14(22)23)10-7-17-18-8-10/h6-8H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
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138n/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))
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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142n/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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