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Compile Data Set for Download or QSAR

Found 774 hits with Last Name = 'li' and Initial = 'kk'   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.0850n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 6480-6515 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00010
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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0.110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
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
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


(Homo sapiens (Human))
BDBM50380320
PNG
(CHEMBL2017653)
Show SMILES Clc1ccc(-c2c(sc(N3CCOCC3)c2C#N)-c2nnc[nH]2)c(Cl)c1 |(13.97,-25.89,;13.2,-24.55,;13.97,-23.21,;13.2,-21.89,;11.67,-21.88,;10.91,-20.55,;11.39,-19.08,;10.14,-18.17,;8.88,-19.08,;7.54,-18.32,;7.53,-16.78,;6.2,-16.02,;4.87,-16.79,;4.88,-18.33,;6.21,-19.1,;9.36,-20.55,;8.46,-21.8,;7.56,-23.05,;12.84,-18.6,;14.09,-19.51,;15.33,-18.61,;14.86,-17.14,;13.32,-17.14,;10.89,-23.21,;9.36,-23.21,;11.66,-24.55,)|
Show InChI InChI=1S/C17H13Cl2N5OS/c18-10-1-2-11(13(19)7-10)14-12(8-20)17(24-3-5-25-6-4-24)26-15(14)16-21-9-22-23-16/h1-2,7,9H,3-6H2,(H,21,22,23)
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0.350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


ACS Med Chem Lett 2: 809-813 (2011)


Article DOI: 10.1021/ml200126j
BindingDB Entry DOI: 10.7270/Q2DJ5GN2
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.490n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 6480-6515 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00010
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
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 (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


(Homo sapiens (Human))
BDBM50380313
PNG
(CHEMBL1234354 | US8633204, 286)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O |r,wU:19.20,wD:22.27,(7.3,4.56,;5.97,5.33,;4.64,4.56,;3.3,5.33,;1.97,4.56,;1.97,3.02,;3.3,2.25,;4.64,3.02,;.64,2.25,;-.7,3.02,;-2.03,2.25,;-3.37,3.02,;-3.37,4.56,;-4.7,2.25,;-4.7,.71,;-6.03,-.06,;-3.37,-.06,;-2.03,.71,;-.7,-.06,;-.7,-1.6,;.64,-2.37,;.64,-3.91,;-.7,-4.68,;-2.03,-3.91,;-2.03,-2.37,;-.7,-6.22,;.64,-6.99,;.64,-8.53,;1.97,-9.3,;.64,.71,;1.97,-.06,)|
Show InChI InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-
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0.570n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


ACS Med Chem Lett 2: 809-813 (2011)


Article DOI: 10.1021/ml200126j
BindingDB Entry DOI: 10.7270/Q2DJ5GN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304826
PNG
((S)-7-(2-chlorophenoxy)-2-((R)-2-methylpiperazin-1...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](Oc3ccccc3Cl)c2n1 |r|
Show InChI InChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2C receptor expressed in mouse 3T3 cells by scintillation counting


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50380321
PNG
(CHEMBL2017654)
Show SMILES Fc1cc(ccc1-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1)C#N |(23.39,-23.59,;24.93,-23.6,;25.69,-24.93,;27.23,-24.94,;28,-23.6,;27.24,-22.27,;25.7,-22.27,;24.94,-20.94,;25.42,-19.47,;24.17,-18.56,;22.91,-19.47,;21.57,-18.7,;21.56,-17.16,;20.23,-16.4,;18.89,-17.18,;18.9,-18.72,;20.24,-19.48,;23.39,-20.94,;22.49,-22.19,;21.58,-23.43,;26.88,-18.99,;28.12,-19.89,;29.37,-18.99,;28.89,-17.52,;27.35,-17.52,;28,-26.27,;28.77,-27.6,)|
Show InChI InChI=1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24)
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


ACS Med Chem Lett 2: 809-813 (2011)


Article DOI: 10.1021/ml200126j
BindingDB Entry DOI: 10.7270/Q2DJ5GN2
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.690n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 6480-6515 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00010
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
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))
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
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314613
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-5-fluoro-2-me...)
Show SMILES COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C21H31FN2O3/c1-21(2)8-6-15(7-9-21)27-19-12-18(26-3)14(11-16(19)22)13-24-20(25)17-5-4-10-23-17/h11-12,15,17,23H,4-10,13H2,1-3H3,(H,24,25)/t17-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304804
PNG
(7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...)
Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304808
PNG
(4-chloro-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine...)
Show SMILES Clc1nc(nc2sccc12)N1CCNCC1
Show InChI InChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
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
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human SGLT2 expressed in CHO-K1 cells assessed as inhibition of [14C]-alpha-methylglucoside uptake


Bioorg Med Chem 24: 1937-80 (2016)


BindingDB Entry DOI: 10.7270/Q22B90WR
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
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


(Homo sapiens (Human))
BDBM50380314
PNG
(CHEMBL2017648)
Show SMILES Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1
Show InChI InChI=1S/C17H14ClN5OS/c18-12-3-1-11(2-4-12)14-13(9-19)17(23-5-7-24-8-6-23)25-15(14)16-20-10-21-22-16/h1-4,10H,5-8H2,(H,20,21,22)
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


ACS Med Chem Lett 2: 809-813 (2011)


Article DOI: 10.1021/ml200126j
BindingDB Entry DOI: 10.7270/Q2DJ5GN2
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM153901
PNG
(US8999981, A146)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
Show InChI InChI=1/C25H35N7O3/c1-16-14-31(17(2)13-30(16)18-8-11-35-12-9-18)24(34)32-15-19-21(25(32,3)4)28-29-22(19)27-23(33)20-7-5-6-10-26-20/h5-7,10,16-18H,8-9,11-15H2,1-4H3,(H2,27,28,29,33)/t16-,17+/s2
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US Patent
1.70 -50.9n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314616
PNG
((S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben...)
Show SMILES COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C20H29FN2O3/c1-25-18-11-19(26-13-14-6-3-2-4-7-14)16(21)10-15(18)12-23-20(24)17-8-5-9-22-17/h10-11,14,17,22H,2-9,12-13H2,1H3,(H,23,24)/t17-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50314614
PNG
((S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob...)
Show SMILES CC1(C)CCC(CC1)Oc1cc(F)c(CNC(=O)[C@@H]2CCCN2)cc1F |r|
Show InChI InChI=1S/C20H28F2N2O2/c1-20(2)7-5-14(6-8-20)26-18-11-15(21)13(10-16(18)22)12-24-19(25)17-4-3-9-23-17/h10-11,14,17,23H,3-9,12H2,1-2H3,(H,24,25)/t17-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


Bioorg Med Chem Lett 20: 2365-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.107
BindingDB Entry DOI: 10.7270/Q24M94QJ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50380315
PNG
(CHEMBL2017649)
Show SMILES Clc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1cc[nH]n1
Show InChI InChI=1S/C18H15ClN4OS/c19-13-3-1-12(2-4-13)16-14(11-20)18(23-7-9-24-10-8-23)25-17(16)15-5-6-21-22-15/h1-6H,7-10H2,(H,21,22)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


ACS Med Chem Lett 2: 809-813 (2011)


Article DOI: 10.1021/ml200126j
BindingDB Entry DOI: 10.7270/Q2DJ5GN2
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM153898
PNG
(US8999981, A143)
Show SMILES C[C@@H]1CN([C@@H](C)CN1CC1CCOCC1)C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C |r|
Show InChI InChI=1/C26H37N7O3/c1-17-14-32(18(2)13-31(17)15-19-8-11-36-12-9-19)25(35)33-16-20-22(26(33,3)4)29-30-23(20)28-24(34)21-7-5-6-10-27-21/h5-7,10,17-19H,8-9,11-16H2,1-4H3,(H2,28,29,30,34)/t17-,18+/s2
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US Patent
1.90 -50.6n/an/an/an/an/a7.430



Pfizer Inc.; Pfizer Products Inc.

US Patent


Assay Description
Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...


US Patent US8999981 (2015)


BindingDB Entry DOI: 10.7270/Q2RR1X0K
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159358
PNG
(CHEMBL3787386)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCC#C)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C20H14ClFN4O2/c1-3-7-28-18-10-16-13(9-17(18)26-19(27)4-2)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h1,4-6,8-11H,2,7H2,(H,26,27)(H,23,24,25)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50304803
PNG
((R)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
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