Found 45 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50000090 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)) | BDBM50240320
(CHEMBL4088855)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN8O/c24-16-1-3-17(4-2-16)31-6-5-20-19(13-31)29-22-21(30-7-9-33-10-8-30)28-18(14-32(20)22)15-11-26-23(25)27-12-15/h1-4,11-12,14H,5-10,13H2,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
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 |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240323
(CHEMBL4062315)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN8O3S/c24-16-1-3-17(4-2-16)36(33,34)31-6-5-18-20(14-31)32-13-19(15-11-26-23(25)27-12-15)29-21(22(32)28-18)30-7-9-35-10-8-30/h1-4,11-13H,5-10,14H2,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240324
(CHEMBL4067552)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C25H26FN9O2/c26-18-3-1-16(2-4-18)11-30-25(36)34-6-5-21-20(14-34)32-23-22(33-7-9-37-10-8-33)31-19(15-35(21)23)17-12-28-24(27)29-13-17/h1-4,12-13,15H,5-11,14H2,(H,30,36)(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240356
(CHEMBL4094970)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN8O2/c25-17-3-1-15(2-4-17)23(34)32-6-5-20-19(13-32)30-22-21(31-7-9-35-10-8-31)29-18(14-33(20)22)16-11-27-24(26)28-12-16/h1-4,11-12,14H,5-10,13H2,(H2,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50420714
(CHEMBL2087474)Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240334
(CHEMBL4087289)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN8O3S/c24-16-1-3-17(4-2-16)36(33,34)31-6-5-20-19(13-31)29-22-21(30-7-9-35-10-8-30)28-18(14-32(20)22)15-11-26-23(25)27-12-15/h1-4,11-12,14H,5-10,13H2,(H2,25,26,27) | 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 |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240315
(CHEMBL4073439)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(CC4CCNCC4)Cc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C23H31N9O/c24-23-26-11-17(12-27-23)18-15-32-20-3-6-30(13-16-1-4-25-5-2-16)14-19(20)29-22(32)21(28-18)31-7-9-33-10-8-31/h11-12,15-16,25H,1-10,13-14H2,(H2,24,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240317
(CHEMBL4070339)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(CCc4ccc(F)cc4)Cc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C25H27FN8O/c26-19-3-1-17(2-4-19)5-7-32-8-6-22-21(15-32)31-24-23(33-9-11-35-12-10-33)30-20(16-34(22)24)18-13-28-25(27)29-14-18/h1-4,13-14,16H,5-12,15H2,(H2,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240318
(CHEMBL4083480)Show SMILES CS(=O)(=O)NCCN1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)24-3-5-27-4-2-17-16(12-27)26-19-18(28-6-8-32-9-7-28)25-15(13-29(17)19)14-10-22-20(21)23-11-14/h10-11,13,24H,2-9,12H2,1H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240325
(CHEMBL4102709)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240333
(CHEMBL4089831)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C20H24N8O3S/c21-20-22-9-13(10-23-20)15-12-28-17-3-4-27(32(29,30)14-1-2-14)11-16(17)25-19(28)18(24-15)26-5-7-31-8-6-26/h9-10,12,14H,1-8,11H2,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240331
(CHEMBL4095102)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(Cc4ccc(F)cc4)CCc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C24H25FN8O/c25-18-3-1-16(2-4-18)13-31-6-5-19-21(15-31)33-14-20(17-11-27-24(26)28-12-17)30-22(23(33)29-19)32-7-9-34-10-8-32/h1-4,11-12,14H,5-10,13,15H2,(H2,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240335
(CHEMBL4105149)Show SMILES CC(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N8O2/c1-12(28)26-3-2-16-15(10-26)24-18-17(25-4-6-29-7-5-25)23-14(11-27(16)18)13-8-21-19(20)22-9-13/h8-9,11H,2-7,10H2,1H3,(H2,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240346
(CHEMBL4081528)Show InChI InChI=1S/C17H20N8O/c18-17-20-7-11(8-21-17)13-10-25-14-9-19-2-1-12(14)22-16(25)15(23-13)24-3-5-26-6-4-24/h7-8,10,19H,1-6,9H2,(H2,18,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240357
(CHEMBL4064833)Show SMILES COCCNC(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H27N9O3/c1-32-7-3-23-21(31)29-4-2-17-16(12-29)27-19-18(28-5-8-33-9-6-28)26-15(13-30(17)19)14-10-24-20(22)25-11-14/h10-11,13H,2-9,12H2,1H3,(H,23,31)(H2,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240322
(CHEMBL4098032)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C20H24N8O3S/c21-20-22-9-13(10-23-20)16-11-28-17-12-27(32(29,30)14-1-2-14)4-3-15(17)24-19(28)18(25-16)26-5-7-31-8-6-26/h9-11,14H,1-8,12H2,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240326
(CHEMBL4068727)Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240336
(CHEMBL4078453)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C24H24FN9O2/c25-16-1-3-17(4-2-16)29-24(35)33-6-5-20-19(13-33)31-22-21(32-7-9-36-10-8-32)30-18(14-34(20)22)15-11-27-23(26)28-12-15/h1-4,11-12,14H,5-10,13H2,(H,29,35)(H2,26,27,28) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240361
(CHEMBL4070943)Show SMILES CS(=O)(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-13-15(11-25)26-10-14(12-8-20-18(19)21-9-12)23-16(17(26)22-13)24-4-6-29-7-5-24/h8-10H,2-7,11H2,1H3,(H2,19,20,21) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240321
(CHEMBL4099002)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClN8O/c24-16-1-3-17(4-2-16)31-6-5-20-19(13-31)29-22-21(30-7-9-33-10-8-30)28-18(14-32(20)22)15-11-26-23(25)27-12-15/h1-4,11-12,14H,5-10,13H2,(H2,25,26,27) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240371
(CHEMBL4100489)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN8O2/c25-17-3-1-15(2-4-17)23(34)32-6-5-18-20(14-32)33-13-19(16-11-27-24(26)28-12-16)30-21(22(33)29-18)31-7-9-35-10-8-31/h1-4,11-13H,5-10,14H2,(H2,26,27,28) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240352
(CHEMBL4082478)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C25H26FN9O2/c26-18-3-1-16(2-4-18)11-30-25(36)34-6-5-19-21(15-34)35-14-20(17-12-28-24(27)29-13-17)32-22(23(35)31-19)33-7-9-37-10-8-33/h1-4,12-14H,5-11,15H2,(H,30,36)(H2,27,28,29) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240327
(CHEMBL4102863)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)19-14-33-20-15-32(24(34)28-17-4-2-1-3-5-17)7-6-18(20)29-22(33)21(30-19)31-8-10-35-11-9-31/h12-14,17H,1-11,15H2,(H,28,34)(H2,25,26,27) | PDB
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PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240350
(CHEMBL4059574)Show InChI InChI=1S/C17H20N8O/c18-17-20-7-11(8-21-17)13-10-25-14-1-2-19-9-12(14)22-16(25)15(23-13)24-3-5-26-6-4-24/h7-8,10,19H,1-6,9H2,(H2,18,20,21) | PDB
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PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240351
(CHEMBL4090322)Show SMILES CC(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N8O2/c1-12(28)26-3-2-14-16(11-26)27-10-15(13-8-21-19(20)22-9-13)24-17(18(27)23-14)25-4-6-29-7-5-25/h8-10H,2-7,11H2,1H3,(H2,20,21,22) | PDB
UniProtKB/SwissProt
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PC sid
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PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240353
(CHEMBL4078583)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C24H24FN9O2/c25-16-1-3-17(4-2-16)29-24(35)33-6-5-18-20(14-33)34-13-19(15-11-27-23(26)28-12-15)31-21(22(34)30-18)32-7-9-36-10-8-32/h1-4,11-13H,5-10,14H2,(H,29,35)(H2,26,27,28) | PDB
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UniChem
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PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240340
(CHEMBL4081910)Show SMILES CCOC(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H24N8O3/c1-2-31-20(29)27-4-3-14-16(12-27)28-11-15(13-9-22-19(21)23-10-13)25-17(18(28)24-14)26-5-7-30-8-6-26/h9-11H,2-8,12H2,1H3,(H2,21,22,23) | PDB
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PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240375
(CHEMBL4061675)Show SMILES CS(=O)(=O)CCN1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H26N8O3S/c1-32(29,30)9-6-26-3-2-17-16(12-26)25-19-18(27-4-7-31-8-5-27)24-15(13-28(17)19)14-10-22-20(21)23-11-14/h10-11,13H,2-9,12H2,1H3,(H2,21,22,23) | PDB
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PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240345
(CHEMBL4089399)Show SMILES COc1ccc(CN2CCc3c(C2)nc2c(nc(cn32)-c2cnc(N)nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H28N8O2/c1-34-19-4-2-17(3-5-19)14-31-7-6-22-21(15-31)30-24-23(32-8-10-35-11-9-32)29-20(16-33(22)24)18-12-27-25(26)28-13-18/h2-5,12-13,16H,6-11,14-15H2,1H3,(H2,26,27,28) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240328
(CHEMBL4064977)Show SMILES COCCNC(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H27N9O3/c1-32-7-3-23-21(31)29-4-2-15-17(13-29)30-12-16(14-10-24-20(22)25-11-14)27-18(19(30)26-15)28-5-8-33-9-6-28/h10-12H,2-9,13H2,1H3,(H,23,31)(H2,22,24,25) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240343
(CHEMBL4079473)Show InChI InChI=1S/C18H21N7O/c19-18-20-9-12(10-21-18)14-11-25-15-4-2-1-3-13(15)22-17(25)16(23-14)24-5-7-26-8-6-24/h9-11H,1-8H2,(H2,19,20,21) | PDB
UniProtKB/SwissProt
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AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240332
(CHEMBL4067689)Show SMILES COc1ccc(CN2CCc3nc4c(nc(cn4c3C2)-c2cnc(N)nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C25H28N8O2/c1-34-19-4-2-17(3-5-19)14-31-7-6-20-22(16-31)33-15-21(18-12-27-25(26)28-13-18)30-23(24(33)29-20)32-8-10-35-11-9-32/h2-5,12-13,15H,6-11,14,16H2,1H3,(H2,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240358
(CHEMBL4071375)Show InChI InChI=1S/C17H19N7O/c18-17-19-8-11(9-20-17)13-10-24-14-3-1-2-12(14)21-16(24)15(22-13)23-4-6-25-7-5-23/h8-10H,1-7H2,(H2,18,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240342
(CHEMBL4098416)Show SMILES CCOC(=O)C1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H25N7O3/c1-2-31-20(29)13-3-4-15-17(9-13)28-12-16(14-10-23-21(22)24-11-14)26-18(19(28)25-15)27-5-7-30-8-6-27/h10-13H,2-9H2,1H3,(H2,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240319
(CHEMBL4060642)Show SMILES CS(=O)(=O)N1CCC(CN2CCc3c(C2)nc2c(nc(cn32)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C24H33N9O3S/c1-37(34,35)32-6-2-17(3-7-32)14-30-5-4-21-20(15-30)29-23-22(31-8-10-36-11-9-31)28-19(16-33(21)23)18-12-26-24(25)27-13-18/h12-13,16-17H,2-11,14-15H2,1H3,(H2,25,26,27) | PDB
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Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240373
(CHEMBL4091268)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc4ccc(F)cc4)Cc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C24H25FN8O/c25-18-3-1-16(2-4-18)13-31-6-5-21-20(14-31)30-23-22(32-7-9-34-10-8-32)29-19(15-33(21)23)17-11-27-24(26)28-12-17/h1-4,11-12,15H,5-10,13-14H2,(H2,26,27,28) | PDB
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Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240372
(CHEMBL4080976)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C23H22F2N8O/c24-16-2-1-15(9-17(16)25)32-4-3-20-19(12-32)30-22-21(31-5-7-34-8-6-31)29-18(13-33(20)22)14-10-27-23(26)28-11-14/h1-2,9-11,13H,3-8,12H2,(H2,26,27,28) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240338
(CHEMBL4060008)Show InChI InChI=1S/C14H15N7O/c15-14-17-7-10(8-18-14)11-9-21-2-1-16-12(21)13(19-11)20-3-5-22-6-4-20/h1-2,7-9H,3-6H2,(H2,15,17,18) | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240344
(CHEMBL4097506)Show SMILES CC1(C)Cc2nc3c(nc(cn3c2C(=O)C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H23N7O2/c1-20(2)7-13-16(15(28)8-20)27-11-14(12-9-22-19(21)23-10-12)25-17(18(27)24-13)26-3-5-29-6-4-26/h9-11H,3-8H2,1-2H3,(H2,21,22,23) | PDB
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| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240330
(CHEMBL4087416)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CC4CCNCC4)CCc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C23H31N9O/c24-23-26-11-17(12-27-23)19-14-32-20-15-30(13-16-1-4-25-5-2-16)6-3-18(20)28-22(32)21(29-19)31-7-9-33-10-8-31/h11-12,14,16,25H,1-10,13,15H2,(H2,24,26,27) | PDB
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| n/a | n/a | 243 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240329
(CHEMBL4086441)Show SMILES CC(C)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H26N8O/c1-13(2)27-4-3-15-17(12-27)28-11-16(14-9-22-20(21)23-10-14)25-18(19(28)24-15)26-5-7-29-8-6-26/h9-11,13H,3-8,12H2,1-2H3,(H2,21,22,23) | PDB
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Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240337
(CHEMBL4086313)Show SMILES CC(C)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C20H26N8O/c1-13(2)27-4-3-17-16(11-27)25-19-18(26-5-7-29-8-6-26)24-15(12-28(17)19)14-9-22-20(21)23-10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H2,21,22,23) | PDB
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| n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240316
(CHEMBL4094075)Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(CC4CC4)Cc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C21H26N8O/c22-21-23-9-15(10-24-21)16-13-29-18-3-4-27(11-14-1-2-14)12-17(18)26-20(29)19(25-16)28-5-7-30-8-6-28/h9-10,13-14H,1-8,11-12H2,(H2,22,23,24) | PDB
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| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240360
(CHEMBL4068219)Show InChI InChI=1S/C16H18N8O/c17-16-19-5-10(6-20-16)12-9-24-13-8-18-7-11(13)21-15(24)14(22-12)23-1-3-25-4-2-23/h5-6,9,18H,1-4,7-8H2,(H2,17,19,20) | PDB
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| n/a | n/a | 643 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
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)) | BDBM50240355
(CHEMBL4105273)Show SMILES Nc1ncc(cn1)-c1cn2c3CN(CC4CC4)CCc3nc2c(n1)N1CCOCC1 Show InChI InChI=1S/C21H26N8O/c22-21-23-9-15(10-24-21)17-12-29-18-13-27(11-14-1-2-14)4-3-16(18)25-20(29)19(26-17)28-5-7-30-8-6-28/h9-10,12,14H,1-8,11,13H2,(H2,22,23,24) | PDB
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| n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre (CNIO)
Curated by ChEMBL
| Assay Description
Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex... |
Bioorg Med Chem Lett 27: 2536-2543 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.090
BindingDB Entry DOI: 10.7270/Q2N87CZ1 |
More data for this
Ligand-Target Pair | |
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