Found 87 hits of Enzyme Inhibition Constant Data 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)) | BDBM50315438
(4,6-dihydroxy-2-((5-methoxy-2-(pyridin-3-yl)-1H-in...)Show SMILES COc1ccc2[nH]c(c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1)-c1cccnc1 Show InChI InChI=1S/C23H16N2O5/c1-29-14-4-5-17-15(9-14)16(22(25-17)12-3-2-6-24-11-12)10-20-23(28)21-18(27)7-13(26)8-19(21)30-20/h2-11,25-27H,1H3/b20-10- | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315438
(4,6-dihydroxy-2-((5-methoxy-2-(pyridin-3-yl)-1H-in...)Show SMILES COc1ccc2[nH]c(c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1)-c1cccnc1 Show InChI InChI=1S/C23H16N2O5/c1-29-14-4-5-17-15(9-14)16(22(25-17)12-3-2-6-24-11-12)10-20-23(28)21-18(27)7-13(26)8-19(21)30-20/h2-11,25-27H,1H3/b20-10- | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315439
(4,6-dihydroxy-2-((5-methoxy-2-phenyl-1H-indol-3-yl...)Show SMILES COc1ccc2[nH]c(c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C24H17NO5/c1-29-15-7-8-18-16(11-15)17(23(25-18)13-5-3-2-4-6-13)12-21-24(28)22-19(27)9-14(26)10-20(22)30-21/h2-12,25-27H,1H3/b21-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315445
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1H-indol-3-yl...)Show SMILES COc1ccc2[nH]c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C19H15NO5/c1-9-12(13-7-11(24-2)3-4-14(13)20-9)8-17-19(23)18-15(22)5-10(21)6-16(18)25-17/h3-8,20-22H,1-2H3/b17-8- | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315445
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1H-indol-3-yl...)Show SMILES COc1ccc2[nH]c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C19H15NO5/c1-9-12(13-7-11(24-2)3-4-14(13)20-9)8-17-19(23)18-15(22)5-10(21)6-16(18)25-17/h3-8,20-22H,1-2H3/b17-8- | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315460
(4,6-dihydroxy-2-((1-(2-(4-(3-hydroxypropyl)piperaz...)Show SMILES COc1ccc2n(CCN3CCN(CCCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)12-11-30-9-7-29(8-10-30)6-3-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315466
(4,6-dihydroxy-2-((5-methoxy-1,2-dimethyl-1H-indol-...)Show SMILES COc1ccc2n(C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C20H17NO5/c1-10-13(14-8-12(25-3)4-5-15(14)21(10)2)9-18-20(24)19-16(23)6-11(22)7-17(19)26-18/h4-9,22-23H,1-3H3/b18-9- | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315461
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(2-(4-methy...)Show SMILES COc1ccc2n(CCN3CCN(C)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C26H29N3O5/c1-16-19(15-24-26(32)25-22(31)12-17(30)13-23(25)34-24)20-14-18(33-3)4-5-21(20)29(16)11-10-28-8-6-27(2)7-9-28/h4-5,12-15,30-31H,6-11H2,1-3H3/b24-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315456
(2-((1-(3-(dimethylamino)propyl)-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(CCCN(C)C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C24H26N2O5/c1-14-17(13-22-24(29)23-20(28)10-15(27)11-21(23)31-22)18-12-16(30-4)6-7-19(18)26(14)9-5-8-25(2)3/h6-7,10-13,27-28H,5,8-9H2,1-4H3/b22-13- | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315453
(4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...)Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)7-3-6-29-8-10-30(11-9-29)12-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315460
(4,6-dihydroxy-2-((1-(2-(4-(3-hydroxypropyl)piperaz...)Show SMILES COc1ccc2n(CCN3CCN(CCCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)12-11-30-9-7-29(8-10-30)6-3-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315466
(4,6-dihydroxy-2-((5-methoxy-1,2-dimethyl-1H-indol-...)Show SMILES COc1ccc2n(C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C20H17NO5/c1-10-13(14-8-12(25-3)4-5-15(14)21(10)2)9-18-20(24)19-16(23)6-11(22)7-17(19)26-18/h4-9,22-23H,1-3H3/b18-9- | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315455
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(3-morpholi...)Show SMILES COc1ccc2n(CCCN3CCOCC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C26H28N2O6/c1-16-19(15-24-26(31)25-22(30)12-17(29)13-23(25)34-24)20-14-18(32-2)4-5-21(20)28(16)7-3-6-27-8-10-33-11-9-27/h4-5,12-15,29-30H,3,6-11H2,1-2H3/b24-15- | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315463
(2-((1-(2-(dimethylamino)ethyl)-5-methoxy-2-methyl-...)Show SMILES COc1ccc2n(CCN(C)C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-13-16(12-21-23(28)22-19(27)9-14(26)10-20(22)30-21)17-11-15(29-4)5-6-18(17)25(13)8-7-24(2)3/h5-6,9-12,26-27H,7-8H2,1-4H3/b21-12- | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315462
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(2-morpholi...)Show SMILES COc1ccc2n(CCN3CCOCC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-15-18(14-23-25(30)24-21(29)11-16(28)12-22(24)33-23)19-13-17(31-2)3-4-20(19)27(15)6-5-26-7-9-32-10-8-26/h3-4,11-14,28-29H,5-10H2,1-2H3/b23-14- | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315439
(4,6-dihydroxy-2-((5-methoxy-2-phenyl-1H-indol-3-yl...)Show SMILES COc1ccc2[nH]c(c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C24H17NO5/c1-29-15-7-8-18-16(11-15)17(23(25-18)13-5-3-2-4-6-13)12-21-24(28)22-19(27)9-14(26)10-20(22)30-21/h2-12,25-27H,1H3/b21-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315438
(4,6-dihydroxy-2-((5-methoxy-2-(pyridin-3-yl)-1H-in...)Show SMILES COc1ccc2[nH]c(c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1)-c1cccnc1 Show InChI InChI=1S/C23H16N2O5/c1-29-14-4-5-17-15(9-14)16(22(25-17)12-3-2-6-24-11-12)10-20-23(28)21-18(27)7-13(26)8-19(21)30-20/h2-11,25-27H,1H3/b20-10- | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315439
(4,6-dihydroxy-2-((5-methoxy-2-phenyl-1H-indol-3-yl...)Show SMILES COc1ccc2[nH]c(c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C24H17NO5/c1-29-15-7-8-18-16(11-15)17(23(25-18)13-5-3-2-4-6-13)12-21-24(28)22-19(27)9-14(26)10-20(22)30-21/h2-12,25-27H,1H3/b21-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315462
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(2-morpholi...)Show SMILES COc1ccc2n(CCN3CCOCC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-15-18(14-23-25(30)24-21(29)11-16(28)12-22(24)33-23)19-13-17(31-2)3-4-20(19)27(15)6-5-26-7-9-32-10-8-26/h3-4,11-14,28-29H,5-10H2,1-2H3/b23-14- | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315461
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(2-(4-methy...)Show SMILES COc1ccc2n(CCN3CCN(C)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C26H29N3O5/c1-16-19(15-24-26(32)25-22(31)12-17(30)13-23(25)34-24)20-14-18(33-3)4-5-21(20)29(16)11-10-28-8-6-27(2)7-9-28/h4-5,12-15,30-31H,6-11H2,1-3H3/b24-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315454
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(3-(4-methy...)Show SMILES COc1ccc2n(CCCN3CCN(C)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O5/c1-17-20(16-25-27(33)26-23(32)13-18(31)14-24(26)35-25)21-15-19(34-3)5-6-22(21)30(17)8-4-7-29-11-9-28(2)10-12-29/h5-6,13-16,31-32H,4,7-12H2,1-3H3/b25-16- | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315455
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(3-morpholi...)Show SMILES COc1ccc2n(CCCN3CCOCC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C26H28N2O6/c1-16-19(15-24-26(31)25-22(30)12-17(29)13-23(25)34-24)20-14-18(32-2)4-5-21(20)28(16)7-3-6-27-8-10-33-11-9-27/h4-5,12-15,29-30H,3,6-11H2,1-2H3/b24-15- | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315463
(2-((1-(2-(dimethylamino)ethyl)-5-methoxy-2-methyl-...)Show SMILES COc1ccc2n(CCN(C)C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-13-16(12-21-23(28)22-19(27)9-14(26)10-20(22)30-21)17-11-15(29-4)5-6-18(17)25(13)8-7-24(2)3/h5-6,9-12,26-27H,7-8H2,1-4H3/b21-12- | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315443
(4,6-dihydroxy-2-((2-(pyridin-2-yl)-1H-indol-3-yl)m...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccccn3)C(=O)c2c(O)c1 Show InChI InChI=1S/C22H14N2O4/c25-12-9-17(26)20-18(10-12)28-19(22(20)27)11-14-13-5-1-2-6-15(13)24-21(14)16-7-3-4-8-23-16/h1-11,24-26H/b19-11- | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315445
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1H-indol-3-yl...)Show SMILES COc1ccc2[nH]c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C19H15NO5/c1-9-12(13-7-11(24-2)3-4-14(13)20-9)8-17-19(23)18-15(22)5-10(21)6-16(18)25-17/h3-8,20-22H,1-2H3/b17-8- | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315449
(4,6-dihydroxy-2-((5-methoxy-1H-indol-3-yl)methylen...)Show SMILES COc1ccc2[nH]cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C18H13NO5/c1-23-11-2-3-13-12(7-11)9(8-19-13)4-16-18(22)17-14(21)5-10(20)6-15(17)24-16/h2-8,19-21H,1H3/b16-4- | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315464
(4,6-dihydroxy-2-((1-(2-(4-(3-hydroxypropyl)piperaz...)Show SMILES COc1ccc2n(CCN3CCN(CCCO)CC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O6/c1-35-20-3-4-22-21(16-20)18(13-25-27(34)26-23(33)14-19(32)15-24(26)36-25)17-30(22)11-10-29-8-6-28(7-9-29)5-2-12-31/h3-4,13-17,31-33H,2,5-12H2,1H3/b25-13- | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315457
(4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...)Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O6/c1-35-20-3-4-22-21(16-20)18(13-25-27(34)26-23(33)14-19(32)15-24(26)36-25)17-30(22)6-2-5-28-7-9-29(10-8-28)11-12-31/h3-4,13-17,31-33H,2,5-12H2,1H3/b25-13- | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315459
(2-((1-(3-(dimethylamino)propyl)-5-methoxy-1H-indol...)Show SMILES COc1ccc2n(CCCN(C)C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-24(2)7-4-8-25-13-14(17-12-16(29-3)5-6-18(17)25)9-21-23(28)22-19(27)10-15(26)11-20(22)30-21/h5-6,9-13,26-27H,4,7-8H2,1-3H3/b21-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315458
(4,6-dihydroxy-2-((5-methoxy-1-(3-morpholinopropyl)...)Show SMILES COc1ccc2n(CCCN3CCOCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-31-18-3-4-20-19(14-18)16(15-27(20)6-2-5-26-7-9-32-10-8-26)11-23-25(30)24-21(29)12-17(28)13-22(24)33-23/h3-4,11-15,28-29H,2,5-10H2,1H3/b23-11- | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315466
(4,6-dihydroxy-2-((5-methoxy-1,2-dimethyl-1H-indol-...)Show SMILES COc1ccc2n(C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C20H17NO5/c1-10-13(14-8-12(25-3)4-5-15(14)21(10)2)9-18-20(24)19-16(23)6-11(22)7-17(19)26-18/h4-9,22-23H,1-3H3/b18-9- | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315437
(4,6-dihydroxy-2-((5-methoxy-1-methyl-1H-indol-3-yl...)Show SMILES COc1ccc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C19H15NO5/c1-20-9-10(13-8-12(24-2)3-4-14(13)20)5-17-19(23)18-15(22)6-11(21)7-16(18)25-17/h3-9,21-22H,1-2H3/b17-5- | 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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315455
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(3-morpholi...)Show SMILES COc1ccc2n(CCCN3CCOCC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C26H28N2O6/c1-16-19(15-24-26(31)25-22(30)12-17(29)13-23(25)34-24)20-14-18(32-2)4-5-21(20)28(16)7-3-6-27-8-10-33-11-9-27/h4-5,12-15,29-30H,3,6-11H2,1-2H3/b24-15- | 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 | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315465
(4,6-dihydroxy-2-((1-methyl-2-phenyl-1H-indol-3-yl)...)Show SMILES Cn1c(c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13- | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315437
(4,6-dihydroxy-2-((5-methoxy-1-methyl-1H-indol-3-yl...)Show SMILES COc1ccc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C19H15NO5/c1-20-9-10(13-8-12(24-2)3-4-14(13)20)5-17-19(23)18-15(22)6-11(21)7-16(18)25-17/h3-9,21-22H,1-2H3/b17-5- | 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 | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315453
(4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...)Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)7-3-6-29-8-10-30(11-9-29)12-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315453
(4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...)Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)7-3-6-29-8-10-30(11-9-29)12-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315456
(2-((1-(3-(dimethylamino)propyl)-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(CCCN(C)C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C24H26N2O5/c1-14-17(13-22-24(29)23-20(28)10-15(27)11-21(23)31-22)18-12-16(30-4)6-7-19(18)26(14)9-5-8-25(2)3/h6-7,10-13,27-28H,5,8-9H2,1-4H3/b22-13- | 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 | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315442
(2-((2-(4-fluorophenyl)-1H-indol-3-yl)methylene)-4,...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc(F)cc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H14FNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11- | 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 | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315444
(4,6-dihydroxy-2-((2-phenyl-1H-indol-3-yl)methylene...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccccc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H15NO4/c25-14-10-18(26)21-19(11-14)28-20(23(21)27)12-16-15-8-4-5-9-17(15)24-22(16)13-6-2-1-3-7-13/h1-12,24-26H/b20-12- | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315454
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(3-(4-methy...)Show SMILES COc1ccc2n(CCCN3CCN(C)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O5/c1-17-20(16-25-27(33)26-23(32)13-18(31)14-24(26)35-25)21-15-19(34-3)5-6-22(21)30(17)8-4-7-29-11-9-28(2)10-12-29/h5-6,13-16,31-32H,4,7-12H2,1-3H3/b25-16- | 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 | 153 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315462
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(2-morpholi...)Show SMILES COc1ccc2n(CCN3CCOCC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-15-18(14-23-25(30)24-21(29)11-16(28)12-22(24)33-23)19-13-17(31-2)3-4-20(19)27(15)6-5-26-7-9-32-10-8-26/h3-4,11-14,28-29H,5-10H2,1-2H3/b23-14- | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315446
(2-((5-bromo-2-methyl-1H-indol-3-yl)methylene)-4,6-...)Show SMILES Cc1[nH]c2ccc(Br)cc2c1\C=C1/Oc2cc(O)cc(O)c2C1=O Show InChI InChI=1S/C18H12BrNO4/c1-8-11(12-4-9(19)2-3-13(12)20-8)7-16-18(23)17-14(22)5-10(21)6-15(17)24-16/h2-7,20-22H,1H3/b16-7- | 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 | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315441
(2-((2-(4-chlorophenyl)-1H-indol-3-yl)methylene)-4,...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc(Cl)cc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H14ClNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11- | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315446
(2-((5-bromo-2-methyl-1H-indol-3-yl)methylene)-4,6-...)Show SMILES Cc1[nH]c2ccc(Br)cc2c1\C=C1/Oc2cc(O)cc(O)c2C1=O Show InChI InChI=1S/C18H12BrNO4/c1-8-11(12-4-9(19)2-3-13(12)20-8)7-16-18(23)17-14(22)5-10(21)6-15(17)24-16/h2-7,20-22H,1H3/b16-7- | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315464
(4,6-dihydroxy-2-((1-(2-(4-(3-hydroxypropyl)piperaz...)Show SMILES COc1ccc2n(CCN3CCN(CCCO)CC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O6/c1-35-20-3-4-22-21(16-20)18(13-25-27(34)26-23(33)14-19(32)15-24(26)36-25)17-30(22)11-10-29-8-6-28(7-9-29)5-2-12-31/h3-4,13-17,31-33H,2,5-12H2,1H3/b25-13- | 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 | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315449
(4,6-dihydroxy-2-((5-methoxy-1H-indol-3-yl)methylen...)Show SMILES COc1ccc2[nH]cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C18H13NO5/c1-23-11-2-3-13-12(7-11)9(8-19-13)4-16-18(22)17-14(21)5-10(20)6-15(17)24-16/h2-8,19-21H,1H3/b16-4- | 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 | 265 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315449
(4,6-dihydroxy-2-((5-methoxy-1H-indol-3-yl)methylen...)Show SMILES COc1ccc2[nH]cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C18H13NO5/c1-23-11-2-3-13-12(7-11)9(8-19-13)4-16-18(22)17-14(21)5-10(20)6-15(17)24-16/h2-8,19-21H,1H3/b16-4- | 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 | 269 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315440
(4,6-dihydroxy-2-((2-(naphthalen-2-yl)-1H-indol-3-y...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc4ccccc4c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C27H17NO4/c29-18-12-22(30)25-23(13-18)32-24(27(25)31)14-20-19-7-3-4-8-21(19)28-26(20)17-10-9-15-5-1-2-6-16(15)11-17/h1-14,28-30H/b24-14- | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315463
(2-((1-(2-(dimethylamino)ethyl)-5-methoxy-2-methyl-...)Show SMILES COc1ccc2n(CCN(C)C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-13-16(12-21-23(28)22-19(27)9-14(26)10-20(22)30-21)17-11-15(29-4)5-6-18(17)25(13)8-7-24(2)3/h5-6,9-12,26-27H,7-8H2,1-4H3/b21-12- | 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 | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315460
(4,6-dihydroxy-2-((1-(2-(4-(3-hydroxypropyl)piperaz...)Show SMILES COc1ccc2n(CCN3CCN(CCCO)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C28H33N3O6/c1-18-21(17-26-28(35)27-24(34)14-19(33)15-25(27)37-26)22-16-20(36-2)4-5-23(22)31(18)12-11-30-9-7-29(8-10-30)6-3-13-32/h4-5,14-17,32-34H,3,6-13H2,1-2H3/b26-17- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315454
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(3-(4-methy...)Show SMILES COc1ccc2n(CCCN3CCN(C)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O5/c1-17-20(16-25-27(33)26-23(32)13-18(31)14-24(26)35-25)21-15-19(34-3)5-6-22(21)30(17)8-4-7-29-11-9-28(2)10-12-29/h5-6,13-16,31-32H,4,7-12H2,1-3H3/b25-16- | 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 | 402 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315456
(2-((1-(3-(dimethylamino)propyl)-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(CCCN(C)C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C24H26N2O5/c1-14-17(13-22-24(29)23-20(28)10-15(27)11-21(23)31-22)18-12-16(30-4)6-7-19(18)26(14)9-5-8-25(2)3/h6-7,10-13,27-28H,5,8-9H2,1-4H3/b22-13- | 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 | 404 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315450
(2-((5-bromo-1H-indol-3-yl)methylene)-4,6-dihydroxy...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H10BrNO4/c18-9-1-2-12-11(4-9)8(7-19-12)3-15-17(22)16-13(21)5-10(20)6-14(16)23-15/h1-7,19-21H/b15-3- | 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 | 422 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315458
(4,6-dihydroxy-2-((5-methoxy-1-(3-morpholinopropyl)...)Show SMILES COc1ccc2n(CCCN3CCOCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-31-18-3-4-20-19(14-18)16(15-27(20)6-2-5-26-7-9-32-10-8-26)11-23-25(30)24-21(29)12-17(28)13-22(24)33-23/h3-4,11-15,28-29H,2,5-10H2,1H3/b23-11- | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315461
(4,6-dihydroxy-2-((5-methoxy-2-methyl-1-(2-(4-methy...)Show SMILES COc1ccc2n(CCN3CCN(C)CC3)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C26H29N3O5/c1-16-19(15-24-26(32)25-22(31)12-17(30)13-23(25)34-24)20-14-18(33-3)4-5-21(20)29(16)11-10-28-8-6-27(2)7-9-28/h4-5,12-15,30-31H,6-11H2,1-3H3/b24-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315451
(2-((5-chloro-1H-indol-3-yl)methylene)-4,6-dihydrox...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Cl)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H10ClNO4/c18-9-1-2-12-11(4-9)8(7-19-12)3-15-17(22)16-13(21)5-10(20)6-14(16)23-15/h1-7,19-21H/b15-3- | 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 | 492 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315447
(4,6-dihydroxy-2-((2-methyl-1H-indol-3-yl)methylene...)Show InChI InChI=1S/C18H13NO4/c1-9-12(11-4-2-3-5-13(11)19-9)8-16-18(22)17-14(21)6-10(20)7-15(17)23-16/h2-8,19-21H,1H3/b16-8- | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315441
(2-((2-(4-chlorophenyl)-1H-indol-3-yl)methylene)-4,...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc(Cl)cc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H14ClNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11- | 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 | 542 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315437
(4,6-dihydroxy-2-((5-methoxy-1-methyl-1H-indol-3-yl...)Show SMILES COc1ccc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C19H15NO5/c1-20-9-10(13-8-12(24-2)3-4-14(13)20)5-17-19(23)18-15(22)6-11(21)7-16(18)25-17/h3-9,21-22H,1-2H3/b17-5- | 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 | 587 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315458
(4,6-dihydroxy-2-((5-methoxy-1-(3-morpholinopropyl)...)Show SMILES COc1ccc2n(CCCN3CCOCC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C25H26N2O6/c1-31-18-3-4-20-19(14-18)16(15-27(20)6-2-5-26-7-9-32-10-8-26)11-23-25(30)24-21(29)12-17(28)13-22(24)33-23/h3-4,11-15,28-29H,2,5-10H2,1H3/b23-11- | 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 | 646 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315440
(4,6-dihydroxy-2-((2-(naphthalen-2-yl)-1H-indol-3-y...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc4ccccc4c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C27H17NO4/c29-18-12-22(30)25-23(13-18)32-24(27(25)31)14-20-19-7-3-4-8-21(19)28-26(20)17-10-9-15-5-1-2-6-16(15)11-17/h1-14,28-30H/b24-14- | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50314354
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6- | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315464
(4,6-dihydroxy-2-((1-(2-(4-(3-hydroxypropyl)piperaz...)Show SMILES COc1ccc2n(CCN3CCN(CCCO)CC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O6/c1-35-20-3-4-22-21(16-20)18(13-25-27(34)26-23(33)14-19(32)15-24(26)36-25)17-30(22)11-10-29-8-6-28(7-9-29)5-2-12-31/h3-4,13-17,31-33H,2,5-12H2,1H3/b25-13- | 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 | 976 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315444
(4,6-dihydroxy-2-((2-phenyl-1H-indol-3-yl)methylene...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccccc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H15NO4/c25-14-10-18(26)21-19(11-14)28-20(23(21)27)12-16-15-8-4-5-9-17(15)24-22(16)13-6-2-1-3-7-13/h1-12,24-26H/b20-12- | 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 | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50314354
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6- | 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 | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315457
(4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...)Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O6/c1-35-20-3-4-22-21(16-20)18(13-25-27(34)26-23(33)14-19(32)15-24(26)36-25)17-30(22)6-2-5-28-7-9-29(10-8-28)11-12-31/h3-4,13-17,31-33H,2,5-12H2,1H3/b25-13- | 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 | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315441
(2-((2-(4-chlorophenyl)-1H-indol-3-yl)methylene)-4,...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc(Cl)cc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H14ClNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11- | 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 | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315442
(2-((2-(4-fluorophenyl)-1H-indol-3-yl)methylene)-4,...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc(F)cc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H14FNO4/c24-13-7-5-12(6-8-13)22-16(15-3-1-2-4-17(15)25-22)11-20-23(28)21-18(27)9-14(26)10-19(21)29-20/h1-11,25-27H/b20-11- | 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 | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315450
(2-((5-bromo-1H-indol-3-yl)methylene)-4,6-dihydroxy...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H10BrNO4/c18-9-1-2-12-11(4-9)8(7-19-12)3-15-17(22)16-13(21)5-10(20)6-14(16)23-15/h1-7,19-21H/b15-3- | 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 | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315457
(4,6-dihydroxy-2-((1-(3-(4-(2-hydroxyethyl)piperazi...)Show SMILES COc1ccc2n(CCCN3CCN(CCO)CC3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C27H31N3O6/c1-35-20-3-4-22-21(16-20)18(13-25-27(34)26-23(33)14-19(32)15-24(26)36-25)17-30(22)6-2-5-28-7-9-29(10-8-28)11-12-31/h3-4,13-17,31-33H,2,5-12H2,1H3/b25-13- | 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 | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315440
(4,6-dihydroxy-2-((2-(naphthalen-2-yl)-1H-indol-3-y...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccc4ccccc4c3)C(=O)c2c(O)c1 Show InChI InChI=1S/C27H17NO4/c29-18-12-22(30)25-23(13-18)32-24(27(25)31)14-20-19-7-3-4-8-21(19)28-26(20)17-10-9-15-5-1-2-6-16(15)11-17/h1-14,28-30H/b24-14- | 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 | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315448
(4,6-dihydroxy-2-((5-phenoxy-1H-indol-3-yl)methylen...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Oc5ccccc5)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H15NO5/c25-14-9-19(26)22-20(10-14)29-21(23(22)27)8-13-12-24-18-7-6-16(11-17(13)18)28-15-4-2-1-3-5-15/h1-12,24-26H/b21-8- | 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 | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315459
(2-((1-(3-(dimethylamino)propyl)-5-methoxy-1H-indol...)Show SMILES COc1ccc2n(CCCN(C)C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-24(2)7-4-8-25-13-14(17-12-16(29-3)5-6-18(17)25)9-21-23(28)22-19(27)10-15(26)11-20(22)30-21/h5-6,9-13,26-27H,4,7-8H2,1-3H3/b21-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315446
(2-((5-bromo-2-methyl-1H-indol-3-yl)methylene)-4,6-...)Show SMILES Cc1[nH]c2ccc(Br)cc2c1\C=C1/Oc2cc(O)cc(O)c2C1=O Show InChI InChI=1S/C18H12BrNO4/c1-8-11(12-4-9(19)2-3-13(12)20-8)7-16-18(23)17-14(22)5-10(21)6-15(17)24-16/h2-7,20-22H,1H3/b16-7- | 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 | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315459
(2-((1-(3-(dimethylamino)propyl)-5-methoxy-1H-indol...)Show SMILES COc1ccc2n(CCCN(C)C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1 Show InChI InChI=1S/C23H24N2O5/c1-24(2)7-4-8-25-13-14(17-12-16(29-3)5-6-18(17)25)9-21-23(28)22-19(27)10-15(26)11-20(22)30-21/h5-6,9-13,26-27H,4,7-8H2,1-3H3/b21-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315465
(4,6-dihydroxy-2-((1-methyl-2-phenyl-1H-indol-3-yl)...)Show SMILES Cn1c(c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13- | 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 | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315444
(4,6-dihydroxy-2-((2-phenyl-1H-indol-3-yl)methylene...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccccc3)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H15NO4/c25-14-10-18(26)21-19(11-14)28-20(23(21)27)12-16-15-8-4-5-9-17(15)24-22(16)13-6-2-1-3-7-13/h1-12,24-26H/b20-12- | 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 | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315447
(4,6-dihydroxy-2-((2-methyl-1H-indol-3-yl)methylene...)Show InChI InChI=1S/C18H13NO4/c1-9-12(11-4-2-3-5-13(11)19-9)8-16-18(22)17-14(21)6-10(20)7-15(17)23-16/h2-8,19-21H,1H3/b16-8- | 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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315451
(2-((5-chloro-1H-indol-3-yl)methylene)-4,6-dihydrox...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Cl)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H10ClNO4/c18-9-1-2-12-11(4-9)8(7-19-12)3-15-17(22)16-13(21)5-10(20)6-14(16)23-15/h1-7,19-21H/b15-3- | 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 | 3.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315443
(4,6-dihydroxy-2-((2-(pyridin-2-yl)-1H-indol-3-yl)m...)Show SMILES Oc1cc2O\C(=C/c3c([nH]c4ccccc34)-c3ccccn3)C(=O)c2c(O)c1 Show InChI InChI=1S/C22H14N2O4/c25-12-9-17(26)20-18(10-12)28-19(22(20)27)11-14-13-5-1-2-6-15(13)24-21(14)16-7-3-4-8-23-16/h1-11,24-26H/b19-11- | 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 | 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315450
(2-((5-bromo-1H-indol-3-yl)methylene)-4,6-dihydroxy...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H10BrNO4/c18-9-1-2-12-11(4-9)8(7-19-12)3-15-17(22)16-13(21)5-10(20)6-14(16)23-15/h1-7,19-21H/b15-3- | 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 | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315448
(4,6-dihydroxy-2-((5-phenoxy-1H-indol-3-yl)methylen...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Oc5ccccc5)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C23H15NO5/c25-14-9-19(26)22-20(10-14)29-21(23(22)27)8-13-12-24-18-7-6-16(11-17(13)18)28-15-4-2-1-3-5-15/h1-12,24-26H/b21-8- | 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 | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315452
(2-((1H-indol-3-yl)methylene)-4,6-dihydroxybenzofur...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccccc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H11NO4/c19-10-6-13(20)16-14(7-10)22-15(17(16)21)5-9-8-18-12-4-2-1-3-11(9)12/h1-8,18-20H/b15-5- | 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 | 6.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50314354
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6- | 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 | 6.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315452
(2-((1H-indol-3-yl)methylene)-4,6-dihydroxybenzofur...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccccc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H11NO4/c19-10-6-13(20)16-14(7-10)22-15(17(16)21)5-9-8-18-12-4-2-1-3-11(9)12/h1-8,18-20H/b15-5- | 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 | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315451
(2-((5-chloro-1H-indol-3-yl)methylene)-4,6-dihydrox...)Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccc(Cl)cc34)C(=O)c2c(O)c1 Show InChI InChI=1S/C17H10ClNO4/c18-9-1-2-12-11(4-9)8(7-19-12)3-15-17(22)16-13(21)5-10(20)6-14(16)23-15/h1-7,19-21H/b15-3- | 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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2586-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX |
More data for this
Ligand-Target Pair | |
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