Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50002601 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3K-delta |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10 mins in presence of [gamma-32P]ATP by radioliga... |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50460339
(CHEMBL4229035)Show SMILES Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)| Show InChI InChI=1S/C25H21N5O/c1-17-9-6-7-14-22(17)30-23(26-20-13-8-10-18(2)24(20)25(30)31)16-29-15-21(27-28-29)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50460340
(CHEMBL4228200)Show SMILES COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)| Show InChI InChI=1S/C27H25N5O2/c1-17-8-5-6-11-24(17)32-25(28-22-10-7-9-18(2)26(22)27(32)33)16-31-15-23(29-30-31)21-13-12-20(34-4)14-19(21)3/h5-15H,16H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50460339
(CHEMBL4229035)Show SMILES Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)| Show InChI InChI=1S/C25H21N5O/c1-17-9-6-7-14-22(17)30-23(26-20-13-8-10-18(2)24(20)25(30)31)16-29-15-21(27-28-29)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50460340
(CHEMBL4228200)Show SMILES COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)| Show InChI InChI=1S/C27H25N5O2/c1-17-8-5-6-11-24(17)32-25(28-22-10-7-9-18(2)26(22)27(32)33)16-31-15-23(29-30-31)21-13-12-20(34-4)14-19(21)3/h5-15H,16H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-beta (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50460339
(CHEMBL4229035)Show SMILES Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)| Show InChI InChI=1S/C25H21N5O/c1-17-9-6-7-14-22(17)30-23(26-20-13-8-10-18(2)24(20)25(30)31)16-29-15-21(27-28-29)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50323726
(2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tol...)Show SMILES Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O |(5.33,-1.02,;5.32,.52,;6.65,1.29,;6.64,2.84,;5.29,3.6,;3.97,2.82,;3.98,1.28,;2.65,.51,;2.67,-1.03,;4.01,-1.8,;4.01,-3.34,;2.77,-4.26,;3.24,-5.72,;4.78,-5.71,;5.82,-6.85,;5.34,-8.31,;7.31,-6.53,;7.78,-5.06,;6.75,-3.93,;5.26,-4.25,;1.33,-1.82,;-.01,-1.04,;-1.35,-1.83,;-2.67,-1.05,;-2.67,.49,;-1.35,1.26,;-1.35,2.8,;-.01,.5,;1.31,1.27,;1.31,2.81,)| Show InChI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50460340
(CHEMBL4228200)Show SMILES COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)| Show InChI InChI=1S/C27H25N5O2/c1-17-8-5-6-11-24(17)32-25(28-22-10-7-9-18(2)26(22)27(32)33)16-31-15-23(29-30-31)21-13-12-20(34-4)14-19(21)3/h5-15H,16H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50460340
(CHEMBL4228200)Show SMILES COc1ccc(-c2cn(Cc3nc4cccc(C)c4c(=O)n3-c3ccccc3C)nn2)c(C)c1 |(27.62,-21.79,;28.98,-21.07,;30.29,-21.88,;31.65,-21.16,;32.95,-21.98,;32.89,-23.52,;34.2,-24.34,;35.44,-23.43,;36.69,-24.32,;38.15,-23.84,;39.47,-24.63,;39.44,-26.17,;40.76,-26.97,;40.73,-28.51,;42.05,-29.3,;43.4,-28.56,;43.43,-27.02,;44.77,-26.28,;42.11,-26.22,;42.14,-24.69,;43.49,-23.94,;40.82,-23.89,;40.8,-22.35,;42.13,-21.56,;42.11,-20.02,;40.76,-19.27,;39.44,-20.06,;39.46,-21.6,;38.13,-22.38,;36.23,-25.79,;34.69,-25.8,;31.53,-24.24,;31.48,-25.78,;30.23,-23.42,)| Show InChI InChI=1S/C27H25N5O2/c1-17-8-5-6-11-24(17)32-25(28-22-10-7-9-18(2)26(22)27(32)33)16-31-15-23(29-30-31)21-13-12-20(34-4)14-19(21)3/h5-15H,16H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-beta (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50460339
(CHEMBL4229035)Show SMILES Cc1ccccc1-n1c(Cn2cc(nn2)-c2ccccc2)nc2cccc(C)c2c1=O |(24.56,-20.94,;25.89,-20.17,;25.89,-18.63,;27.22,-17.86,;28.56,-18.63,;28.56,-20.17,;27.22,-20.94,;27.22,-22.48,;25.89,-23.25,;24.56,-22.48,;23.22,-23.25,;21.82,-22.62,;20.79,-23.77,;21.56,-25.1,;23.06,-24.78,;19.25,-23.74,;18.45,-25.05,;16.91,-25.02,;16.17,-23.68,;16.96,-22.36,;18.5,-22.39,;25.89,-24.79,;27.22,-25.56,;27.22,-27.1,;28.56,-27.87,;29.89,-27.1,;29.89,-25.56,;31.23,-24.79,;28.56,-24.79,;28.56,-23.25,;29.89,-22.48,)| Show InChI InChI=1S/C25H21N5O/c1-17-9-6-7-14-22(17)30-23(26-20-13-8-10-18(2)24(20)25(30)31)16-29-15-21(27-28-29)19-11-4-3-5-12-19/h3-15H,16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-beta (unknown origin) by cell free biochemical assay |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032
BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this
Ligand-Target Pair | |
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