Found 32 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50000243 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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50145416
(GSK2126458 | Omipalisib)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3 | PDB
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| Purchase
MCE
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PC sid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243194
(CHEMBL4097194)Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C24H23N7O4S/c25-36(33,34)19-9-7-18(8-10-19)28-24(32)27-17-5-3-16(4-6-17)22-29-20-2-1-11-26-21(20)23(30-22)31-12-14-35-15-13-31/h1-11H,12-15H2,(H2,25,33,34)(H2,27,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243144
(CHEMBL4065928)Show SMILES CNC1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 Show InChI InChI=1S/C31H39N9O4/c1-32-24-10-12-38(13-11-24)28(41)23-4-8-26(9-5-23)34-31(42)33-25-6-2-22(3-7-25)27-35-29(39-14-18-43-19-15-39)37-30(36-27)40-16-20-44-21-17-40/h2-9,24,32H,10-21H2,1H3,(H2,33,34,42) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243339
(CHEMBL4089494)Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-27-25(34)18-6-10-20(11-7-18)30-26(35)29-19-8-4-17(5-9-19)23-31-21-3-2-12-28-22(21)24(32-23)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,27,34)(H2,29,30,35) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243193
(CHEMBL4060651)Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-17(34)28-19-8-10-21(11-9-19)30-26(35)29-20-6-4-18(5-7-20)24-31-22-3-2-12-27-23(22)25(32-24)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,28,34)(H2,29,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243292
(CHEMBL4092587)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1 Show InChI InChI=1S/C24H22N6O2/c31-24(26-18-5-2-1-3-6-18)27-19-10-8-17(9-11-19)22-28-20-7-4-12-25-21(20)23(29-22)30-13-15-32-16-14-30/h1-12H,13-16H2,(H2,26,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243304
(CHEMBL4104902)Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H25N9O4S/c26-24(27)33-39(36,37)19-9-7-18(8-10-19)30-25(35)29-17-5-3-16(4-6-17)22-31-20-2-1-11-28-21(20)23(32-22)34-12-14-38-15-13-34/h1-11H,12-15H2,(H4,26,27,33)(H2,29,30,35) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243176
(CHEMBL4081617)Show SMILES CCOC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C27H26N6O4/c1-2-37-26(34)19-7-11-21(12-8-19)30-27(35)29-20-9-5-18(6-10-20)24-31-22-4-3-13-28-23(22)25(32-24)33-14-16-36-17-15-33/h3-13H,2,14-17H2,1H3,(H2,29,30,35) | PDB
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243146
(CHEMBL4102783)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H26N6O3/c33-15-11-18-3-7-20(8-4-18)28-26(34)29-21-9-5-19(6-10-21)24-30-22-2-1-12-27-23(22)25(31-24)32-13-16-35-17-14-32/h1-10,12,33H,11,13-17H2,(H2,28,29,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50243313
(CHEMBL4103534)Show SMILES CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-17(34)28-19-8-10-21(11-9-19)30-26(35)29-20-6-4-18(5-7-20)23-31-24-22(3-2-12-27-24)25(32-23)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,28,34)(H2,29,30,35) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243196
(CHEMBL4087043)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C27H24N8O4S2/c36-26(31-20-7-9-21(10-8-20)41(37,38)34-27-29-12-17-40-27)30-19-5-3-18(4-6-19)24-32-22-2-1-11-28-23(22)25(33-24)35-13-15-39-16-14-35/h1-12,17H,13-16H2,(H,29,34)(H2,30,31,36) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243293
(CHEMBL4088235)Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C26H24N6O3/c1-17(33)18-4-8-20(9-5-18)28-26(34)29-21-10-6-19(7-11-21)24-30-22-3-2-12-27-23(22)25(31-24)32-13-15-35-16-14-32/h2-12H,13-16H2,1H3,(H2,28,29,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243172
(CHEMBL4059989)Show SMILES CCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C27H26N6O3/c1-2-23(34)18-5-9-20(10-6-18)29-27(35)30-21-11-7-19(8-12-21)25-31-22-4-3-13-28-24(22)26(32-25)33-14-16-36-17-15-33/h3-13H,2,14-17H2,1H3,(H2,29,30,35) | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243230
(CHEMBL4092840)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C29H26N8O4S/c38-29(33-22-10-12-23(13-11-22)42(39,40)36-25-5-1-2-14-30-25)32-21-8-6-20(7-9-21)27-34-24-4-3-15-31-26(24)28(35-27)37-16-18-41-19-17-37/h1-15H,16-19H2,(H,30,36)(H2,32,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243251
(CHEMBL4088056)Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C25H25N7O4S/c1-37(34,35)31-20-10-8-19(9-11-20)28-25(33)27-18-6-4-17(5-7-18)22-29-23-21(3-2-12-26-23)24(30-22)32-13-15-36-16-14-32/h2-12,31H,13-16H2,1H3,(H2,27,28,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243248
(CHEMBL4102715)Show SMILES OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H26N6O3/c33-15-11-18-3-7-20(8-4-18)28-26(34)29-21-9-5-19(6-10-21)23-30-24-22(2-1-12-27-24)25(31-23)32-13-16-35-17-14-32/h1-10,12,33H,11,13-17H2,(H2,28,29,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243296
(CHEMBL4065878)Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1 Show InChI InChI=1S/C24H22N6O2/c31-24(26-18-5-2-1-3-6-18)27-19-10-8-17(9-11-19)21-28-22-20(7-4-12-25-22)23(29-21)30-13-15-32-16-14-30/h1-12H,13-16H2,(H2,26,27,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243249
(CHEMBL4079272)Show SMILES CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H25N7O3/c1-27-25(34)18-6-10-20(11-7-18)30-26(35)29-19-8-4-17(5-9-19)22-31-23-21(3-2-12-28-23)24(32-22)33-13-15-36-16-14-33/h2-12H,13-16H2,1H3,(H,27,34)(H2,29,30,35) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243246
(CHEMBL4064842)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)22-29-23-21(2-1-11-26-23)24(30-22)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243314
(CHEMBL4087157)Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C24H23N7O4S/c25-36(33,34)19-9-7-18(8-10-19)28-24(32)27-17-5-3-16(4-6-17)21-29-22-20(2-1-11-26-22)23(30-21)31-12-14-35-15-13-31/h1-11H,12-15H2,(H2,25,33,34)(H2,27,28,32) | PDB
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UniChem
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PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243247
(CHEMBL4092544)Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)22-29-23-21(5-2-10-26-23)24(30-22)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243303
(CHEMBL4084790)Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H24N6O3/c1-17(33)18-4-8-20(9-5-18)28-26(34)29-21-10-6-19(7-11-21)23-30-24-22(3-2-12-27-24)25(31-23)32-13-15-35-16-14-32/h2-12H,13-16H2,1H3,(H2,28,29,34) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243145
(CHEMBL3109141)Show SMILES OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-1-4-20(15-17)28-25(33)27-19-8-6-18(7-9-19)23-29-21-5-2-10-26-22(21)24(30-23)31-11-13-34-14-12-31/h1-10,15,32H,11-14,16H2,(H2,27,28,33) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243252
(CHEMBL4059778)Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C25H25N9O4S/c26-24(27)33-39(36,37)19-9-7-18(8-10-19)30-25(35)29-17-5-3-16(4-6-17)21-31-22-20(2-1-11-28-22)23(32-21)34-12-14-38-15-13-34/h1-11H,12-15H2,(H4,26,27,33)(H2,29,30,35) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243231
(CHEMBL4072084)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C28H25N9O4S/c38-28(33-21-8-10-22(11-9-21)42(39,40)36-27-30-13-2-14-31-27)32-20-6-4-19(5-7-20)25-34-23-3-1-12-29-24(23)26(35-25)37-15-17-41-18-16-37/h1-14H,15-18H2,(H,30,31,36)(H2,32,33,38) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243143
(CHEMBL3109142)Show SMILES OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1 Show InChI InChI=1S/C25H24N6O3/c32-16-17-3-7-19(8-4-17)27-25(33)28-20-9-5-18(6-10-20)23-29-21-2-1-11-26-22(21)24(30-23)31-12-14-34-15-13-31/h1-11,32H,12-16H2,(H2,27,28,33) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243253
(CHEMBL4095781)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C27H24N8O4S2/c36-26(31-20-7-9-21(10-8-20)41(37,38)34-27-29-12-17-40-27)30-19-5-3-18(4-6-19)23-32-24-22(2-1-11-28-24)25(33-23)35-13-15-39-16-14-35/h1-12,17H,13-16H2,(H,29,34)(H2,30,31,36) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243312
(CHEMBL4068435)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C29H26N8O4S/c38-29(33-22-10-12-23(13-11-22)42(39,40)36-25-5-1-2-14-30-25)32-21-8-6-20(7-9-21)26-34-27-24(4-3-15-31-27)28(35-26)37-16-18-41-19-17-37/h1-15H,16-19H2,(H,30,36)(H2,32,33,38) | PDB
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PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243250
(CHEMBL4065735)Show SMILES ClCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1 Show InChI InChI=1S/C26H23ClN6O3/c27-16-22(34)17-3-7-19(8-4-17)29-26(35)30-20-9-5-18(6-10-20)23-31-24-21(2-1-11-28-24)25(32-23)33-12-14-36-15-13-33/h1-11H,12-16H2,(H2,29,30,35) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50243254
(CHEMBL4069475)Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C28H25N9O4S/c38-28(33-21-8-10-22(11-9-21)42(39,40)36-27-30-13-2-14-31-27)32-20-6-4-19(5-7-20)24-34-25-23(3-1-12-29-25)26(35-24)37-15-17-41-18-16-37/h1-14H,15-18H2,(H,30,31,36)(H2,32,33,38) | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
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)) | BDBM50429701
(AZD-2014 | CHEMBL2336325 | US9102670, 1ap)Show SMILES CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 m... |
Bioorg Med Chem Lett 27: 3117-3122 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.044
BindingDB Entry DOI: 10.7270/Q2Z89FTM |
More data for this
Ligand-Target Pair | |
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