Found 50 hits with Last Name = 'lee' and Initial = 'lb' 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 alpha isoform
(Homo sapiens (Human)) | BDBM50149477
(CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149553
(CHEMBL3770306)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CC[C@H]1C(N)=O |r| Show InChI InChI=1S/C20H23N7O2/c1-12(2)27-20(22-11-23-27)15-10-25-7-8-29-17-9-13(3-4-14(17)19(25)24-15)26-6-5-16(26)18(21)28/h3-4,9-12,16H,5-8H2,1-2H3,(H2,21,28)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149482
(CHEMBL3770709)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C20H24N8O2/c1-12(2)28-20(23-11-24-28)14-10-26-6-7-30-16-8-17(22-9-13(16)19(26)25-14)27-5-3-4-15(27)18(21)29/h8-12,15H,3-7H2,1-2H3,(H2,21,29)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149483
(CHEMBL3770325)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N(C)CC(N)=O Show InChI InChI=1S/C18H22N8O2/c1-11(2)26-18(21-10-22-26)13-8-25-4-5-28-14-6-16(24(3)9-15(19)27)20-7-12(14)17(25)23-13/h6-8,10-11H,4-5,9H2,1-3H3,(H2,19,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149548
(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149554
(CHEMBL3770140)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OCC(N)=O)ccc3-c2n1 Show InChI InChI=1S/C18H20N6O3/c1-11(2)24-18(20-10-21-24)14-8-23-5-6-26-15-7-12(27-9-16(19)25)3-4-13(15)17(23)22-14/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,19,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149476
(CHEMBL3770717)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C22H27N7O2/c1-14(2)29-22(24-13-25-29)17-12-27-9-10-31-19-11-15(6-7-16(19)21(27)26-17)28-8-4-3-5-18(28)20(23)30/h6-7,11-14,18H,3-5,8-10H2,1-2H3,(H2,23,30)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50434806
(2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...)Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149465
(CHEMBL3769854)Show SMILES CC[C@H](Oc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1C(C)C)C(N)=O |r| Show InChI InChI=1S/C20H24N6O3/c1-4-16(18(21)27)29-13-5-6-14-17(9-13)28-8-7-25-10-15(24-19(14)25)20-22-11-23-26(20)12(2)3/h5-6,9-12,16H,4,7-8H2,1-3H3,(H2,21,27)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149546
(CHEMBL3769966)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OCC(N)=O)ncc3-c2n1 Show InChI InChI=1S/C17H19N7O3/c1-10(2)24-17(20-9-21-24)12-7-23-3-4-26-13-5-15(27-8-14(18)25)19-6-11(13)16(23)22-12/h5-7,9-10H,3-4,8H2,1-2H3,(H2,18,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149550
(CHEMBL3770332)Show SMILES COC(=O)Nc1ccc2-c3sc(cc3CCOc2c1)-c1nncn1-c1ccccc1Cl Show InChI InChI=1S/C22H17ClN4O3S/c1-29-22(28)25-14-6-7-15-18(11-14)30-9-8-13-10-19(31-20(13)15)21-26-24-12-27(21)17-5-3-2-4-16(17)23/h2-7,10-12H,8-9H2,1H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149545
(CHEMBL3770824)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ncc3-c2n1 |r| Show InChI InChI=1S/C18H21N7O3/c1-10(2)25-18(21-9-22-25)13-8-24-4-5-27-14-6-15(28-11(3)16(19)26)20-7-12(14)17(24)23-13/h6-11H,4-5H2,1-3H3,(H2,19,26)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149543
(CHEMBL3770630)Show InChI InChI=1S/C15H17N7O/c1-9(2)22-15(18-8-19-22)11-7-21-3-4-23-12-5-13(16)17-6-10(12)14(21)20-11/h5-9H,3-4H2,1-2H3,(H2,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149479
(CHEMBL3770092)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCCC1 Show InChI InChI=1S/C19H23N7O/c1-13(2)26-19(21-12-22-26)15-11-25-7-8-27-16-9-17(24-5-3-4-6-24)20-10-14(16)18(25)23-15/h9-13H,3-8H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177664
(CHEMBL3814414)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(CCOC3(C)C)c2n1 Show InChI InChI=1S/C19H24N8O2/c1-11-12(10-21-18(20)22-11)14-24-15(26-4-7-28-8-5-26)13-16(25-14)27-6-9-29-19(2,3)17(27)23-13/h10H,4-9H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177662
(CHEMBL3813842)Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177668
(CHEMBL3814925)Show SMILES Cn1c(nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1)C1(O)COC1 Show InChI InChI=1S/C17H20N8O3/c1-24-13-11(21-15(24)17(26)8-28-9-17)14(25-2-4-27-5-3-25)23-12(22-13)10-6-19-16(18)20-7-10/h6-7,26H,2-5,8-9H2,1H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177669
(CHEMBL3814544)Show SMILES Cn1c(nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1)C1CCC1 Show InChI InChI=1S/C18H22N8O/c1-25-15(11-3-2-4-11)22-13-16(25)23-14(12-9-20-18(19)21-10-12)24-17(13)26-5-7-27-8-6-26/h9-11H,2-8H2,1H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177666
(CHEMBL3813906)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O Show InChI InChI=1S/C19H26N8O3/c1-11-12(10-21-18(20)22-11)14-24-15(26-5-8-30-9-6-26)13-16(25-14)27(4-7-28)17(23-13)19(2,3)29/h10,28-29H,4-9H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149544
(CHEMBL3769972)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(OC(C)(C)C(N)=O)ncc3-c2n1 Show InChI InChI=1S/C19H23N7O3/c1-11(2)26-17(22-10-23-26)13-9-25-5-6-28-14-7-15(29-19(3,4)18(20)27)21-8-12(14)16(25)24-13/h7-11H,5-6H2,1-4H3,(H2,20,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149480
(CHEMBL3769603)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCC[C@@H]1C(N)=O |r| Show InChI InChI=1S/C20H24N8O2/c1-12(2)28-20(23-11-24-28)14-10-26-6-7-30-16-8-17(22-9-13(16)19(26)25-14)27-5-3-4-15(27)18(21)29/h8-12,15H,3-7H2,1-2H3,(H2,21,29)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149551
(CHEMBL3770615)Show InChI InChI=1S/C16H18N6O2/c1-10(2)22-16(18-9-19-22)12-8-21-4-5-24-13-6-14(23-3)17-7-11(13)15(21)20-12/h6-10H,4-5H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149475
(CHEMBL3770644)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50358204
(CHEMBL1922094)Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r| Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 | 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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177670
(CHEMBL3814365)Show InChI InChI=1S/C16H20N8O/c1-3-11-20-12-14(23(11)2)21-13(10-8-18-16(17)19-9-10)22-15(12)24-4-6-25-7-5-24/h8-9H,3-7H2,1-2H3,(H2,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177667
(CHEMBL3815084)Show SMILES COC1(COC1)c1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3/c1-25-14-12(22-16(25)18(27-2)9-29-10-18)15(26-3-5-28-6-4-26)24-13(23-14)11-7-20-17(19)21-8-11/h7-8H,3-6,9-10H2,1-2H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50177671
(CHEMBL3814933)Show InChI InChI=1S/C14H16N8O/c1-21-8-18-10-12(21)19-11(9-6-16-14(15)17-7-9)20-13(10)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fl... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398398
(CHEMBL2178613)Show SMILES CC1(C)OCCc2c1sc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O2S/c1-19(2)15-12(3-6-27-19)13-14(28-15)17(25-4-7-26-8-5-25)24-16(23-13)11-9-21-18(20)22-10-11/h9-10H,3-8H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50358204
(CHEMBL1922094)Show SMILES C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)-c2cnc(N)nc2)N2CCOCC2)CC1 |r| Show InChI InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1 | 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
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50398397
(CHEMBL2178614)Show SMILES CC1(C)COC1c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C19H22N6O2S/c1-19(2)10-27-15(19)13-7-12-14(28-13)17(25-3-5-26-6-4-25)24-16(23-12)11-8-21-18(20)22-9-11/h7-9,15H,3-6,10H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50312613
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50149478
(CHEMBL3769857)Show SMILES CNC(=O)[C@@H]1CCCN1c1cc2OCCn3cc(nc3-c2cn1)-c1ncnn1C(C)C |r| Show InChI InChI=1S/C21H26N8O2/c1-13(2)29-20(24-12-25-29)15-11-27-7-8-31-17-9-18(23-10-14(17)19(27)26-15)28-6-4-5-16(28)21(30)22-3/h9-13,16H,4-8H2,1-3H3,(H,22,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50177662
(CHEMBL3813842)Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50177666
(CHEMBL3813906)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(n(CCO)c2n1)C(C)(C)O Show InChI InChI=1S/C19H26N8O3/c1-11-12(10-21-18(20)22-11)14-24-15(26-5-8-30-9-6-26)13-16(25-14)27(4-7-28)17(23-13)19(2,3)29/h10,28-29H,4-9H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50177664
(CHEMBL3814414)Show SMILES Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc3n(CCOC3(C)C)c2n1 Show InChI InChI=1S/C19H24N8O2/c1-11-12(10-21-18(20)22-11)14-24-15(26-4-7-28-8-5-26)13-16(25-14)27-6-9-29-19(2,3)17(27)23-13/h10H,4-9H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation a... |
ACS Med Chem Lett 7: 351-6 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00005
BindingDB Entry DOI: 10.7270/Q2WQ05QD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398401
(CHEMBL2178615)Show InChI InChI=1S/C15H16N6OS/c1-9-8-23-12-11(9)19-13(10-6-17-15(16)18-7-10)20-14(12)21-2-4-22-5-3-21/h6-8H,2-5H2,1H3,(H2,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in PIP3 formation after 30 mins by fluorescence polarization assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398399
(CHEMBL2178608)Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human PC3 cells assessed as reduction in pAKT level by immunoblotting method |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25025
(4-[2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]...)Show InChI InChI=1S/C17H15N5OS/c1-2-11(12-10-18-21-13(12)3-1)16-19-14-4-9-24-15(14)17(20-16)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,18,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in PIP3 formation after 30 mins by fluorescence polarization assay |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50398400
(CHEMBL2178606)Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human PC3 cells assessed as reduction in pAKT level by immunoblotting method |
J Med Chem 55: 8007-20 (2012)
Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50149548
(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50149548
(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50149548
(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50149548
(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50149548
(CHEMBL3771364 | US10851091, U.S. Pat. No. 8,242,10...)Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r| Show InChI InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 59: 985-1002 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01483
BindingDB Entry DOI: 10.7270/Q2QF8VRV |
More data for this
Ligand-Target Pair | |
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