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Compile Data Set for Download or QSAR

Found 1029 hits with Last Name = 'kendall' and Initial = 'j'   
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


(Mus musculus (Mouse))
BDBM50355682
PNG
(CHEMBL1911117)
Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H24F2N8O3/c1-31-14-11-12(23)10-13-15(14)24-17(16(21)22)30(13)20-26-18(28-2-6-32-7-3-28)25-19(27-20)29-4-8-33-9-5-29/h10-11,16H,2-9,23H2,1H3
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n/an/a 0.220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360090
PNG
(CHEMBL1928555)
Show SMILES CCN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O4S/c1-3-23(29(27,28)18-9-16(24(25)26)5-4-13(18)2)21-12-15-11-20-22-7-6-14(10-19)8-17(15)22/h4-9,11-12H,3H2,1-2H3/b21-12+
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n/an/a 0.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360084
PNG
(CHEMBL1928725)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C16H11ClN6O4S/c1-21(28(26,27)16-7-13(23(24)25)2-3-14(16)17)19-9-12-10-20-22-5-4-11(8-18)6-15(12)22/h2-7,9-10H,1H3/b19-9+
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 0.530n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110alpha after 2 hrs by HTRF assay


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 0.650n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110delta after 2 hrs by HTRF assay


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 0.680n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360085
PNG
(CHEMBL1928726)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O5S/c1-21(19-10-13-11-20-22-6-5-12(9-18)7-15(13)22)29(26,27)17-8-14(23(24)25)3-4-16(17)28-2/h3-8,10-11H,1-2H3/b19-10+
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n/an/a 0.800n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355687
PNG
(CHEMBL1911122)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H22F2N6O3/c21-18(22)19-25-17-13(2-1-3-14(17)29)28(19)20-23-15(26-4-8-30-9-5-26)12-16(24-20)27-6-10-31-11-7-27/h1-3,12,18,29H,4-11H2
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n/an/a 0.810n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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n/an/a 0.900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 0.900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360024
PNG
(CHEMBL1928541)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-4-15(23(24)25)8-17(12)28(26,27)21(2)19-10-14-11-20-22-6-5-13(9-18)7-16(14)22/h3-8,10-11H,1-2H3/b19-10+
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n/an/a 0.900n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355683
PNG
(CHEMBL1911118)
Show SMILES CNc1cc(OC)c2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H26F2N8O3/c1-24-13-11-14-16(15(12-13)32-2)25-18(17(22)23)31(14)21-27-19(29-3-7-33-8-4-29)26-20(28-21)30-5-9-34-10-6-30/h11-12,17,24H,3-10H2,1-2H3
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n/an/a 0.910n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 1n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells


Bioorg Med Chem Lett 12: 1613-5 (2002)


BindingDB Entry DOI: 10.7270/Q2D220S3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360063
PNG
(CHEMBL1928561)
Show SMILES Cc1ccc(cc1S(=O)(=O)N(CCO)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O5S/c1-13-2-3-16(24(26)27)9-18(13)30(28,29)23(6-7-25)21-12-15-11-20-22-5-4-14(10-19)8-17(15)22/h2-5,8-9,11-12,25H,6-7H2,1H3/b21-12+
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n/an/a 1.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 1.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation a...


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355682
PNG
(CHEMBL1911117)
Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H24F2N8O3/c1-31-14-11-12(23)10-13-15(14)24-17(16(21)22)30(13)20-26-18(28-2-6-32-7-3-28)25-19(27-20)29-4-8-33-9-5-29/h10-11,16H,2-9,23H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360081
PNG
(CHEMBL1928722)
Show SMILES CCc1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O4S/c1-3-14-4-5-16(24(25)26)9-18(14)29(27,28)22(2)20-11-15-12-21-23-7-6-13(10-19)8-17(15)23/h4-9,11-12H,3H2,1-2H3/b20-11+
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n/an/a 1.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))
BDBM50355687
PNG
(CHEMBL1911122)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H22F2N6O3/c21-18(22)19-25-17-13(2-1-3-14(17)29)28(19)20-23-15(26-4-8-30-9-5-26)12-16(24-20)27-6-10-31-11-7-27/h1-3,12,18,29H,4-11H2
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n/an/a 1.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 1.60n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50355682
PNG
(CHEMBL1911117)
Show SMILES COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H24F2N8O3/c1-31-14-11-12(23)10-13-15(14)24-17(16(21)22)30(13)20-26-18(28-2-6-32-7-3-28)25-19(27-20)29-4-8-33-9-5-29/h10-11,16H,2-9,23H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110delta after 2 hrs by HTRF assay


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360082
PNG
(CHEMBL1928723)
Show SMILES CC(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C19H18N6O4S/c1-13(2)17-5-4-16(25(26)27)9-19(17)30(28,29)23(3)21-11-15-12-22-24-7-6-14(10-20)8-18(15)24/h4-9,11-13H,1-3H3/b21-11+
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n/an/a 1.80n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216807
PNG
((3R)-6-cyclohexyl-3-[3-({[(3,4-dimethoxyphenyl)sul...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C23H32N4O8S/c1-33-18-12-11-17(14-19(18)34-2)36(31,32)27-22(29)21-24-23(35-26-21)16(13-20(28)25-30)10-6-9-15-7-4-3-5-8-15/h11-12,14-16,30H,3-10,13H2,1-2H3,(H,25,28)(H,27,29)/t16-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))
BDBM50355683
PNG
(CHEMBL1911118)
Show SMILES CNc1cc(OC)c2nc(C(F)F)n(-c3nc(nc(n3)N3CCOCC3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H26F2N8O3/c1-24-13-11-14-16(15(12-13)32-2)25-18(17(22)23)31(14)21-27-19(29-3-7-33-8-4-29)26-20(28-21)30-5-9-34-10-6-30/h11-12,17,24H,3-10H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216831
PNG
((3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinyl)-1,2...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C19H26N4O3/c24-17(22-25)13-16(8-4-7-14-5-2-1-3-6-14)19-21-18(23-26-19)15-9-11-20-12-10-15/h9-12,14,16,25H,1-8,13H2,(H,22,24)/t16-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50355679
PNG
(CHEMBL1911114)
Show SMILES COc1ccc2n(c(nc2c1O)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H23F2N7O4/c1-31-13-3-2-12-14(15(13)30)23-17(16(21)22)29(12)20-25-18(27-4-8-32-9-5-27)24-19(26-20)28-6-10-33-11-7-28/h2-3,16,30H,4-11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110delta after 2 hrs by HTRF assay


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360086
PNG
(CHEMBL1928727)
Show SMILES CN(C)c1ccc(cc1S(=O)(=O)N(C)\N=C\c1cnn2ccc(cc12)C#N)[N+]([O-])=O
Show InChI InChI=1S/C18H17N7O4S/c1-22(2)16-5-4-15(25(26)27)9-18(16)30(28,29)23(3)20-11-14-12-21-24-7-6-13(10-19)8-17(14)24/h4-9,11-12H,1-3H3/b20-11+
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n/an/a 2.20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50537407
PNG
(CHEMBL4563749)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCN(CCO)CC1)N1CCOCC1
Show InChI InChI=1S/C28H40F2N10O5S/c1-44-22-4-2-3-21-23(22)31-25(24(29)30)40(21)28-33-26(32-27(34-28)38-14-18-45-19-15-38)37-9-11-39(12-10-37)46(42,43)20-16-36-7-5-35(6-8-36)13-17-41/h2-4,24,41H,5-20H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...


Bioorg Med Chem 27: 1529-1545 (2019)


Article DOI: 10.1016/j.bmc.2019.02.050
BindingDB Entry DOI: 10.7270/Q2XW4P9S
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451184
PNG
(CHEMBL4213621)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H30F2N8O4S/c1-30(15-7-9-32(10-8-15)38(3,34)35)21-27-22(31-11-13-37-14-12-31)29-23(28-21)33-16-5-4-6-17(36-2)18(16)26-20(33)19(24)25/h4-6,15,19H,7-14H2,1-3H3
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n/an/a 2.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay


Bioorg Med Chem 25: 5859-5874 (2017)


Article DOI: 10.1016/j.bmc.2017.09.025
BindingDB Entry DOI: 10.7270/Q2G73HB6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50537375
PNG
(CHEMBL4547407)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(=O)(=O)CCN(C)C
Show InChI InChI=1S/C25H34F2N8O4S/c1-32(2)13-16-40(36,37)34-9-7-17(8-10-34)22-29-24(33-11-14-39-15-12-33)31-25(30-22)35-18-5-4-6-19(38-3)20(18)28-23(35)21(26)27/h4-6,17,21H,7-16H2,1-3H3
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n/an/a 2.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...


Bioorg Med Chem 27: 1529-1545 (2019)


Article DOI: 10.1016/j.bmc.2019.02.050
BindingDB Entry DOI: 10.7270/Q2XW4P9S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360040
PNG
(CHEMBL1928536)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#C)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O4S/c1-4-14-7-8-22-17(9-14)15(12-20-22)11-19-21(3)28(26,27)18-10-16(23(24)25)6-5-13(18)2/h1,5-12H,2-3H3/b19-11+
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n/an/a 2.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360073
PNG
(CHEMBL1928571)
Show SMILES CN(\N=C\c1cnn2ccc(cc12)C#N)S(=O)(=O)c1cc(ccc1C)C#N
Show InChI InChI=1S/C18H14N6O2S/c1-13-3-4-14(9-19)8-18(13)27(25,26)23(2)21-11-16-12-22-24-6-5-15(10-20)7-17(16)24/h3-8,11-12H,1-2H3/b21-11+
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n/an/a 2.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 58-68 (2011)


Article DOI: 10.1016/j.bmc.2011.11.031
BindingDB Entry DOI: 10.7270/Q21C1X99
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218257
PNG
(CHEMBL69874)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1
Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451223
PNG
(CHEMBL4214500)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)S(C)(=O)=O)c2n1
Show InChI InChI=1S/C24H28F2N8O4S/c1-37-18-5-3-4-17-19(18)28-23(20(25)26)33(17)24-29-21(31-10-12-38-13-11-31)16-14-27-34(22(16)30-24)15-6-8-32(9-7-15)39(2,35)36/h3-5,14-15,20H,6-13H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay


Bioorg Med Chem 25: 5859-5874 (2017)


Article DOI: 10.1016/j.bmc.2017.09.025
BindingDB Entry DOI: 10.7270/Q2G73HB6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50435583
PNG
(CHEMBL2393147)
Show SMILES OCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H25F2N7O4/c22-17(23)18-24-16-14(2-1-3-15(16)34-13-8-31)30(18)21-26-19(28-4-9-32-10-5-28)25-20(27-21)29-6-11-33-12-7-29/h1-3,17,31H,4-13H2
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n/an/a 2.60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110delta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatogr...


Eur J Med Chem 64: 137-47 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.038
BindingDB Entry DOI: 10.7270/Q2377B33
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50537386
PNG
(CHEMBL4529406)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCc1ccccn1)N1CCOCC1
Show InChI InChI=1S/C27H31F2N9O4S/c1-41-21-7-4-6-20-22(21)31-24(23(28)29)38(20)27-33-25(32-26(34-27)36-14-16-42-17-15-36)35-10-12-37(13-11-35)43(39,40)18-8-19-5-2-3-9-30-19/h2-7,9,23H,8,10-18H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...


Bioorg Med Chem 27: 1529-1545 (2019)


Article DOI: 10.1016/j.bmc.2019.02.050
BindingDB Entry DOI: 10.7270/Q2XW4P9S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))
BDBM50355693
PNG
(CHEMBL1910999)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C20H23F2N7O3/c1-30-14-4-2-3-13-15(14)23-17(16(21)22)29(13)20-25-18(27-5-9-31-10-6-27)24-19(26-20)28-7-11-32-12-8-28/h2-4,16H,5-12H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))
BDBM50355694
PNG
(CHEMBL1911000)
Show SMILES CCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C21H25F2N7O3/c1-2-33-15-5-3-4-14-16(15)24-18(17(22)23)30(14)21-26-19(28-6-10-31-11-7-28)25-20(27-21)29-8-12-32-13-9-29/h3-5,17H,2,6-13H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 2.90n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation a...


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360037
PNG
(CHEMBL1928533)
Show SMILES CN(\N=C\c1cnn2ccc(Cl)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14ClN5O4S/c1-11-3-4-14(22(23)24)8-16(11)27(25,26)20(2)18-9-12-10-19-21-6-5-13(17)7-15(12)21/h3-10H,1-2H3/b18-9+
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n/an/a 2.90n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451217
PNG
(CHEMBL4214284)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@H](C1)N(C)S(C)(=O)=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H30F2N8O4S/c1-30(38(3,34)35)15-6-5-9-32(14-15)22-27-21(31-10-12-37-13-11-31)28-23(29-22)33-16-7-4-8-17(36-2)18(16)26-20(33)19(24)25/h4,7-8,15,19H,5-6,9-14H2,1-3H3/t15-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay


Bioorg Med Chem 25: 5859-5874 (2017)


Article DOI: 10.1016/j.bmc.2017.09.025
BindingDB Entry DOI: 10.7270/Q2G73HB6
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216838
PNG
((3R)-6-cyclohexyl-N-hydroxy-3-{3-[1-(methylsulfony...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C21H37N5O5S/c1-32(29,30)26-12-10-18(11-13-26)22-15-19-23-21(31-25-19)17(14-20(27)24-28)9-5-8-16-6-3-2-4-7-16/h16-18,22,28H,2-15H2,1H3,(H,24,27)/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216824
PNG
((3R)-6-cyclohexyl-N-hydroxy-3-(3-{4-[(methylsulfon...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
Show InChI InChI=1S/C21H30N4O5S/c1-31(28,29)25-18-12-10-16(11-13-18)20-22-21(30-24-20)17(14-19(26)23-27)9-5-8-15-6-3-2-4-7-15/h10-13,15,17,25,27H,2-9,14H2,1H3,(H,23,26)/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216796
PNG
((3R)-3-(3-{[acetyl(methyl)amino]methyl}-1,2,4-oxad...)
Show SMILES CN(Cc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO)C(C)=O
Show InChI InChI=1S/C18H30N4O4/c1-13(23)22(2)12-16-19-18(26-21-16)15(11-17(24)20-25)10-6-9-14-7-4-3-5-8-14/h14-15,25H,3-12H2,1-2H3,(H,20,24)/t15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451240
PNG
(CHEMBL4211457)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28F2N8O4S/c1-29(37(3,33)34)14-7-8-31(13-14)21-26-20(30-9-11-36-12-10-30)27-22(28-21)32-15-5-4-6-16(35-2)17(15)25-19(32)18(23)24/h4-6,14,18H,7-13H2,1-3H3/t14-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay


Bioorg Med Chem 25: 5859-5874 (2017)


Article DOI: 10.1016/j.bmc.2017.09.025
BindingDB Entry DOI: 10.7270/Q2G73HB6
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451236
PNG
(CHEMBL4208958)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CNS(C)(=O)=O)CC1)N1CCOCC1
Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)32-10-12-37-13-11-32)31-8-6-15(7-9-31)14-26-38(2,34)35/h3-5,15,19,26H,6-14H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay


Bioorg Med Chem 25: 5859-5874 (2017)


Article DOI: 10.1016/j.bmc.2017.09.025
BindingDB Entry DOI: 10.7270/Q2G73HB6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50355691
PNG
(CHEMBL1910998)
Show SMILES Oc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O3/c20-15(21)16-22-14-12(2-1-3-13(14)29)28(16)19-24-17(26-4-8-30-9-5-26)23-18(25-19)27-6-10-31-11-7-27/h1-3,15,29H,4-11H2
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n/an/a 3.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged PI3K p110beta after 2 hrs by HTRF assay


J Med Chem 54: 7105-26 (2011)


Article DOI: 10.1021/jm200688y
BindingDB Entry DOI: 10.7270/Q20P10FQ
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50451229
PNG
(CHEMBL4205087)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(NCC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1
Show InChI InChI=1S/C23H30F2N8O4S/c1-36-17-5-3-4-16-18(17)27-20(19(24)25)33(16)23-29-21(28-22(30-23)31-10-12-37-13-11-31)26-14-15-6-8-32(9-7-15)38(2,34)35/h3-5,15,19H,6-14H2,1-2H3,(H,26,28,29,30)
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n/an/a 3.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay


Bioorg Med Chem 25: 5859-5874 (2017)


Article DOI: 10.1016/j.bmc.2017.09.025
BindingDB Entry DOI: 10.7270/Q2G73HB6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50219014
PNG
(CHEMBL149559)
Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24)
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n/an/a 3.70n/an/an/an/an/an/a



Celltech R& D

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 12: 509-12 (2002)


BindingDB Entry DOI: 10.7270/Q2T43W9C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50360028
PNG
(CHEMBL1928525)
Show SMILES CN(\N=C\c1cnn2ccc(Br)cc12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-4-14(22(23)24)8-16(11)27(25,26)20(2)18-9-12-10-19-21-6-5-13(17)7-15(12)21/h3-10H,1-2H3/b18-9+
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n/an/a 3.80n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3K p110alpha using L-alpha-phosphotidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographi...


Bioorg Med Chem 20: 69-85 (2011)


Article DOI: 10.1016/j.bmc.2011.11.029
BindingDB Entry DOI: 10.7270/Q2513ZNR
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50537376
PNG
(CHEMBL4569104)
Show SMILES COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C25H27F2N9O4S/c1-39-19-6-2-5-18-20(19)29-22(21(26)27)36(18)25-31-23(30-24(32-25)34-12-14-40-15-13-34)33-8-10-35(11-9-33)41(37,38)17-4-3-7-28-16-17/h2-7,16,21H,8-15H2,1H3
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n/an/a 3.80n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assa...


Bioorg Med Chem 27: 1529-1545 (2019)


Article DOI: 10.1016/j.bmc.2019.02.050
BindingDB Entry DOI: 10.7270/Q2XW4P9S
More data for this
Ligand-Target Pair
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