Found 54 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 |
|---|
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303298
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33| Show InChI InChI=1S/C27H29N7O3/c1-2-34-26-23(13-28-34)25(33-14-21-11-12-22(15-33)37-21)31-24(32-26)18-5-9-20(10-6-18)30-27(36)29-19-7-3-17(16-35)4-8-19/h3-10,13,21-22,35H,2,11-12,14-16H2,1H3,(H2,29,30,36) | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303299
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:30:37:33.34| Show InChI InChI=1S/C28H31N7O3/c1-2-35-27-24(15-29-35)26(34-16-22-11-12-23(17-34)38-22)32-25(33-27)19-5-9-21(10-6-19)31-28(37)30-20-7-3-18(4-8-20)13-14-36/h3-10,15,22-23,36H,2,11-14,16-17H2,1H3,(H2,30,31,37) | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303282
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2 |TLB:6:27:34:30.31| Show InChI InChI=1S/C25H26N8O2/c1-2-33-24-21(13-27-33)23(32-14-19-9-10-20(15-32)35-19)30-22(31-24)16-5-7-17(8-6-16)28-25(34)29-18-4-3-11-26-12-18/h3-8,11-13,19-20H,2,9-10,14-15H2,1H3,(H2,28,29,34) | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303292
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCNCC2)cc1)N1CC2CCC(C1)O2 |TLB:9:36:43:39.40| Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)18-42-28-25(15-35-42)27(41-16-23-9-10-24(17-41)44-23)38-26(39-28)19-1-3-20(4-2-19)36-29(43)37-21-5-7-22(8-6-21)40-13-11-34-12-14-40/h1-8,15,23-24,34H,9-14,16-18H2,(H2,36,37,43) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303280
(4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN2CCCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:35:42:38.39| Show InChI InChI=1S/C31H35N9O3/c1-2-40-29-26(17-32-40)28(38-18-24-13-14-25(19-38)43-24)35-27(36-29)20-5-9-22(10-6-20)33-31(42)34-23-11-7-21(8-12-23)30(41)37-39-15-3-4-16-39/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H,37,41)(H2,33,34,42) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303281
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H34N8O3/c1-2-38-29-26(17-31-38)28(37-18-24-11-12-25(19-37)41-24)34-27(35-29)20-3-5-21(6-4-20)32-30(39)33-22-7-9-23(10-8-22)36-13-15-40-16-14-36/h3-10,17,24-25H,2,11-16,18-19H2,1H3,(H2,32,33,39) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303295
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33| Show InChI InChI=1S/C27H30N8O2/c1-2-35-26-23(14-29-35)25(34-15-21-11-12-22(16-34)37-21)32-24(33-26)18-5-9-20(10-6-18)31-27(36)30-19-7-3-17(13-28)4-8-19/h3-10,14,21-22H,2,11-13,15-16,28H2,1H3,(H2,30,31,36) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303289
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C31H37N9O2/c1-3-40-30-27(18-32-40)29(39-19-25-12-13-26(20-39)42-25)35-28(36-30)21-4-6-22(7-5-21)33-31(41)34-23-8-10-24(11-9-23)38-16-14-37(2)15-17-38/h4-11,18,25-26H,3,12-17,19-20H2,1-2H3,(H2,33,34,41) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303288
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CC2CCC(C1)O2 |TLB:6:27:34:30.31| Show InChI InChI=1S/C26H27N7O2/c1-2-33-25-22(14-27-33)24(32-15-20-12-13-21(16-32)35-20)30-23(31-25)17-8-10-19(11-9-17)29-26(34)28-18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15-16H2,1H3,(H2,28,29,34) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303287
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C29H33N9O3/c1-2-38-28-24(16-31-38)27(37-17-22-8-9-23(18-37)41-22)34-26(35-28)19-3-5-20(6-4-19)32-29(39)33-21-7-10-25(30-15-21)36-11-13-40-14-12-36/h3-7,10,15-16,22-23H,2,8-9,11-14,17-18H2,1H3,(H2,32,33,39) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303279
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C29H33N9O3/c1-4-38-27-24(15-30-38)26(37-16-22-13-14-23(17-37)41-22)33-25(34-27)18-5-9-20(10-6-18)31-29(40)32-21-11-7-19(8-12-21)28(39)35-36(2)3/h5-12,15,22-23H,4,13-14,16-17H2,1-3H3,(H,35,39)(H2,31,32,40) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303302
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC)c2n1 |TLB:14:15:22:18.19| Show InChI InChI=1S/C22H27N7O2/c1-3-23-22(30)25-15-7-5-14(6-8-15)19-26-20(18-11-24-29(4-2)21(18)27-19)28-12-16-9-10-17(13-28)31-16/h5-8,11,16-17H,3-4,9-10,12-13H2,1-2H3,(H2,23,25,30) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303291
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 |TLB:23:24:31:27.28| Show InChI InChI=1S/C31H34F3N9O2/c1-40-12-14-41(15-13-40)23-8-6-22(7-9-23)37-30(44)36-21-4-2-20(3-5-21)27-38-28(42-17-24-10-11-25(18-42)45-24)26-16-35-43(29(26)39-27)19-31(32,33)34/h2-9,16,24-25H,10-15,17-19H2,1H3,(H2,36,37,44) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303296
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:35:42:38.39| Show InChI InChI=1S/C32H39N9O2/c1-3-41-31-28(18-33-41)30(40-20-26-12-13-27(21-40)43-26)36-29(37-31)23-6-10-25(11-7-23)35-32(42)34-24-8-4-22(5-9-24)19-39-16-14-38(2)15-17-39/h4-11,18,26-27H,3,12-17,19-21H2,1-2H3,(H2,34,35,42) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303284
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C30H36N10O2/c1-3-40-29-25(17-32-40)28(39-18-23-9-10-24(19-39)42-23)35-27(36-29)20-4-6-21(7-5-20)33-30(41)34-22-8-11-26(31-16-22)38-14-12-37(2)13-15-38/h4-8,11,16-17,23-24H,3,9-10,12-15,18-19H2,1-2H3,(H2,33,34,41) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303297
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(OCCN(C)C)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H36N8O3/c1-4-38-29-26(17-31-38)28(37-18-24-13-14-25(19-37)41-24)34-27(35-29)20-5-7-21(8-6-20)32-30(39)33-22-9-11-23(12-10-22)40-16-15-36(2)3/h5-12,17,24-25H,4,13-16,18-19H2,1-3H3,(H2,32,33,39) | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303294
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)CCN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C31H39N9O2/c1-5-40-30-27(18-32-40)29(39-19-25-14-15-26(20-39)42-25)35-28(36-30)21-6-8-22(9-7-21)33-31(41)34-23-10-12-24(13-11-23)38(4)17-16-37(2)3/h6-13,18,25-26H,5,14-17,19-20H2,1-4H3,(H2,33,34,41) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303285
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(NC)nc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33| Show InChI InChI=1S/C26H29N9O2/c1-3-35-25-21(13-29-35)24(34-14-19-9-10-20(15-34)37-19)32-23(33-25)16-4-6-17(7-5-16)30-26(36)31-18-8-11-22(27-2)28-12-18/h4-8,11-13,19-20H,3,9-10,14-15H2,1-2H3,(H,27,28)(H2,30,31,36) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303300
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(OCCN3CCOCC3)nc2)cc1)N1CC2CCC(C1)O2 |TLB:6:36:43:39.40| Show InChI InChI=1S/C31H37N9O4/c1-2-40-30-26(18-33-40)29(39-19-24-8-9-25(20-39)44-24)36-28(37-30)21-3-5-22(6-4-21)34-31(41)35-23-7-10-27(32-17-23)43-16-13-38-11-14-42-15-12-38/h3-7,10,17-18,24-25H,2,8-9,11-16,19-20H2,1H3,(H2,34,35,41) | 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 human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303301
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN(C)C)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:31:38:34.35| Show InChI InChI=1S/C29H34N8O2/c1-4-37-28-25(15-30-37)27(36-17-23-13-14-24(18-36)39-23)33-26(34-28)20-7-11-22(12-8-20)32-29(38)31-21-9-5-19(6-10-21)16-35(2)3/h5-12,15,23-24H,4,13-14,16-18H2,1-3H3,(H2,31,32,38) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303286
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:30:37:33.34| Show InChI InChI=1S/C27H31N9O2/c1-4-36-26-22(14-29-36)25(35-15-20-10-11-21(16-35)38-20)32-24(33-26)17-5-7-18(8-6-17)30-27(37)31-19-9-12-23(28-13-19)34(2)3/h5-9,12-14,20-21H,4,10-11,15-16H2,1-3H3,(H2,30,31,37) | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303293
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(NCCN(C)C)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H37N9O2/c1-4-39-29-26(17-32-39)28(38-18-24-13-14-25(19-38)41-24)35-27(36-29)20-5-7-22(8-6-20)33-30(40)34-23-11-9-21(10-12-23)31-15-16-37(2)3/h5-12,17,24-25,31H,4,13-16,18-19H2,1-3H3,(H2,33,34,40) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303283
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN(C)CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2 |TLB:9:30:37:33.34| Show InChI InChI=1S/C27H31N9O2/c1-34(2)12-13-36-26-23(15-29-36)25(35-16-21-9-10-22(17-35)38-21)32-24(33-26)18-5-7-19(8-6-18)30-27(37)31-20-4-3-11-28-14-20/h3-8,11,14-15,21-22H,9-10,12-13,16-17H2,1-2H3,(H2,30,31,37) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303290
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:32:39:35.36| Show InChI InChI=1S/C30H34N8O2/c1-2-38-29-26(17-31-38)28(37-18-24-13-14-25(19-37)40-24)34-27(35-29)20-5-7-21(8-6-20)32-30(39)33-22-9-11-23(12-10-22)36-15-3-4-16-36/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H2,32,33,39) | 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 human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303303
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCN(C)C)c2n1 |TLB:14:15:22:18.19| Show InChI InChI=1S/C24H32N8O2/c1-4-25-24(33)27-17-7-5-16(6-8-17)21-28-22(31-14-18-9-10-19(15-31)34-18)20-13-26-32(23(20)29-21)12-11-30(2)3/h5-8,13,18-19H,4,9-12,14-15H2,1-3H3,(H2,25,27,33) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303295
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33| Show InChI InChI=1S/C27H30N8O2/c1-2-35-26-23(14-29-35)25(34-15-21-11-12-22(16-34)37-21)32-24(33-26)18-5-9-20(10-6-18)31-27(36)30-19-7-3-17(13-28)4-8-19/h3-10,14,21-22H,2,11-13,15-16,28H2,1H3,(H2,30,31,36) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303298
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33| Show InChI InChI=1S/C27H29N7O3/c1-2-34-26-23(13-28-34)25(33-14-21-11-12-22(15-33)37-21)31-24(32-26)18-5-9-20(10-6-18)30-27(36)29-19-7-3-17(16-35)4-8-19/h3-10,13,21-22,35H,2,11-12,14-16H2,1H3,(H2,29,30,36) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303289
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C31H37N9O2/c1-3-40-30-27(18-32-40)29(39-19-25-12-13-26(20-39)42-25)35-28(36-30)21-4-6-22(7-5-21)33-31(41)34-23-8-10-24(11-9-23)38-16-14-37(2)15-17-38/h4-11,18,25-26H,3,12-17,19-20H2,1-2H3,(H2,33,34,41) | 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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50303304
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:26:33:29.30| Show InChI InChI=1S/C24H32N8O2/c1-4-32-23-20(13-26-32)22(31-14-18-9-10-19(15-31)34-18)28-21(29-23)16-5-7-17(8-6-16)27-24(33)25-11-12-30(2)3/h5-8,13,18-19H,4,9-12,14-15H2,1-3H3,(H2,25,27,33) | 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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Flag-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303288
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccccc2)cc1)N1CC2CCC(C1)O2 |TLB:6:27:34:30.31| Show InChI InChI=1S/C26H27N7O2/c1-2-33-25-22(14-27-33)24(32-15-20-12-13-21(16-32)35-20)30-23(31-25)17-8-10-19(11-9-17)29-26(34)28-18-6-4-3-5-7-18/h3-11,14,20-21H,2,12-13,15-16H2,1H3,(H2,28,29,34) | 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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303299
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCO)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:30:37:33.34| Show InChI InChI=1S/C28H31N7O3/c1-2-35-27-24(15-29-35)26(34-16-22-11-12-23(17-34)38-22)32-25(33-27)19-5-9-21(10-6-19)31-28(37)30-20-7-3-18(4-8-20)13-14-36/h3-10,15,22-23,36H,2,11-14,16-17H2,1H3,(H2,30,31,37) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303292
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCNCC2)cc1)N1CC2CCC(C1)O2 |TLB:9:36:43:39.40| Show InChI InChI=1S/C30H32F3N9O2/c31-30(32,33)18-42-28-25(15-35-42)27(41-16-23-9-10-24(17-41)44-23)38-26(39-28)19-1-3-20(4-2-19)36-29(43)37-21-5-7-22(8-6-21)40-13-11-34-12-14-40/h1-8,15,23-24,34H,9-14,16-18H2,(H2,36,37,43) | 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
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303280
(4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN2CCCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:35:42:38.39| Show InChI InChI=1S/C31H35N9O3/c1-2-40-29-26(17-32-40)28(38-18-24-13-14-25(19-38)43-24)35-27(36-29)20-5-9-22(10-6-20)33-31(42)34-23-11-7-21(8-12-23)30(41)37-39-15-3-4-16-39/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H,37,41)(H2,33,34,42) | 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 | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303279
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C29H33N9O3/c1-4-38-27-24(15-30-38)26(37-16-22-13-14-23(17-37)41-22)33-25(34-27)18-5-9-20(10-6-18)31-29(40)32-21-11-7-19(8-12-21)28(39)35-36(2)3/h5-12,15,22-23H,4,13-14,16-17H2,1-3H3,(H,35,39)(H2,31,32,40) | 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
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303282
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2 |TLB:6:27:34:30.31| Show InChI InChI=1S/C25H26N8O2/c1-2-33-24-21(13-27-33)23(32-14-19-9-10-20(15-32)35-19)30-22(31-24)16-5-7-17(8-6-16)28-25(34)29-18-4-3-11-26-12-18/h3-8,11-13,19-20H,2,9-10,14-15H2,1H3,(H2,28,29,34) | 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 | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303291
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 |TLB:23:24:31:27.28| Show InChI InChI=1S/C31H34F3N9O2/c1-40-12-14-41(15-13-40)23-8-6-22(7-9-23)37-30(44)36-21-4-2-20(3-5-21)27-38-28(42-17-24-10-11-25(18-42)45-24)26-16-35-43(29(26)39-27)19-31(32,33)34/h2-9,16,24-25H,10-15,17-19H2,1H3,(H2,36,37,44) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303281
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H34N8O3/c1-2-38-29-26(17-31-38)28(37-18-24-11-12-25(19-37)41-24)34-27(35-29)20-3-5-21(6-4-20)32-30(39)33-22-7-9-23(10-8-22)36-13-15-40-16-14-36/h3-10,17,24-25H,2,11-16,18-19H2,1H3,(H2,32,33,39) | 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 | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303284
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCN(C)CC2)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C30H36N10O2/c1-3-40-29-25(17-32-40)28(39-18-23-9-10-24(19-39)42-23)35-27(36-29)20-4-6-21(7-5-20)33-30(41)34-22-8-11-26(31-16-22)38-14-12-37(2)13-15-38/h4-8,11,16-17,23-24H,3,9-10,12-15,18-19H2,1-2H3,(H2,33,34,41) | 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 | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303293
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(NCCN(C)C)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C30H37N9O2/c1-4-39-29-26(17-32-39)28(38-18-24-13-14-25(19-38)41-24)35-27(36-29)20-5-7-22(8-6-20)33-30(40)34-23-11-9-21(10-12-23)31-15-16-37(2)3/h5-12,17,24-25,31H,4,13-16,18-19H2,1-3H3,(H2,33,34,40) | 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 | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303283
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN(C)CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CC2CCC(C1)O2 |TLB:9:30:37:33.34| Show InChI InChI=1S/C27H31N9O2/c1-34(2)12-13-36-26-23(15-29-36)25(35-16-21-9-10-22(17-35)38-21)32-24(33-26)18-5-7-19(8-6-18)30-27(37)31-20-4-3-11-28-14-20/h3-8,11,14-15,21-22H,9-10,12-13,16-17H2,1-2H3,(H2,30,31,37) | 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 | 235 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303294
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N(C)CCN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:34:41:37.38| Show InChI InChI=1S/C31H39N9O2/c1-5-40-30-27(18-32-40)29(39-19-25-14-15-26(20-39)42-25)35-28(36-30)21-6-8-22(9-7-21)33-31(41)34-23-10-12-24(13-11-23)38(4)17-16-37(2)3/h6-13,18,25-26H,5,14-17,19-20H2,1-4H3,(H2,33,34,41) | 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 | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303301
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN(C)C)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:31:38:34.35| Show InChI InChI=1S/C29H34N8O2/c1-4-37-28-25(15-30-37)27(36-17-23-13-14-24(18-36)39-23)33-26(34-28)20-7-11-22(12-8-20)32-29(38)31-21-9-5-19(6-10-21)16-35(2)3/h5-12,15,23-24H,4,13-14,16-18H2,1-3H3,(H2,31,32,38) | 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 | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303285
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(NC)nc2)cc1)N1CC2CCC(C1)O2 |TLB:6:29:36:32.33| Show InChI InChI=1S/C26H29N9O2/c1-3-35-25-21(13-29-35)24(34-14-19-9-10-20(15-34)37-19)32-23(33-25)16-4-6-17(7-5-16)30-26(36)31-18-8-11-22(27-2)28-12-18/h4-8,11-13,19-20H,3,9-10,14-15H2,1-2H3,(H,27,28)(H2,30,31,36) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303286
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:30:37:33.34| Show InChI InChI=1S/C27H31N9O2/c1-4-36-26-22(14-29-36)25(35-15-20-10-11-21(16-35)38-20)32-24(33-26)17-5-7-18(8-6-17)30-27(37)31-19-9-12-23(28-13-19)34(2)3/h5-9,12-14,20-21H,4,10-11,15-16H2,1-3H3,(H2,30,31,37) | 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 | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303296
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1)N1CC2CCC(C1)O2 |TLB:6:35:42:38.39| Show InChI InChI=1S/C32H39N9O2/c1-3-41-31-28(18-33-41)30(40-20-26-12-13-27(21-40)43-26)36-29(37-31)23-6-10-25(11-7-23)35-32(42)34-24-8-4-22(5-9-24)19-39-16-14-38(2)15-17-39/h4-11,18,26-27H,3,12-17,19-21H2,1-2H3,(H2,34,35,42) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303300
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(OCCN3CCOCC3)nc2)cc1)N1CC2CCC(C1)O2 |TLB:6:36:43:39.40| Show InChI InChI=1S/C31H37N9O4/c1-2-40-30-26(18-33-40)29(39-19-24-8-9-25(20-39)44-24)36-28(37-30)21-3-5-22(6-4-21)34-31(41)35-23-7-10-27(32-17-23)43-16-13-38-11-14-42-15-12-38/h3-7,10,17-18,24-25H,2,8-9,11-16,19-20H2,1H3,(H2,34,35,41) | 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 | 373 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303304
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCN(C)C)cc1)N1CC2CCC(C1)O2 |TLB:6:26:33:29.30| Show InChI InChI=1S/C24H32N8O2/c1-4-32-23-20(13-26-32)22(31-14-18-9-10-19(15-31)34-18)28-21(29-23)16-5-7-17(8-6-16)27-24(33)25-11-12-30(2)3/h5-8,13,18-19H,4,9-12,14-15H2,1-3H3,(H2,25,27,33) | 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 | 836 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50303291
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 |TLB:23:24:31:27.28| Show InChI InChI=1S/C31H34F3N9O2/c1-40-12-14-41(15-13-40)23-8-6-22(7-9-23)37-30(44)36-21-4-2-20(3-5-21)27-38-28(42-17-24-10-11-25(18-42)45-24)26-16-35-43(29(26)39-27)19-31(32,33)34/h2-9,16,24-25H,10-15,17-19H2,1H3,(H2,36,37,44) | 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 | 945 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303302
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CC)c2n1 |TLB:14:15:22:18.19| Show InChI InChI=1S/C22H27N7O2/c1-3-23-22(30)25-15-7-5-14(6-8-15)19-26-20(18-11-24-29(4-2)21(18)27-19)28-12-16-9-10-17(13-28)31-16/h5-8,11,16-17H,3-4,9-10,12-13H2,1-2H3,(H2,23,25,30) | 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 | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303290
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:32:39:35.36| Show InChI InChI=1S/C30H34N8O2/c1-2-38-29-26(17-31-38)28(37-18-24-13-14-25(19-37)40-24)34-27(35-29)20-5-7-21(8-6-20)32-30(39)33-22-9-11-23(12-10-22)36-15-3-4-16-36/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H2,32,33,39) | 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 | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303287
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-et...)Show SMILES CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N2CCOCC2)cc1)N1CC2CCC(C1)O2 |TLB:6:33:40:36.37| Show InChI InChI=1S/C29H33N9O3/c1-2-38-28-24(16-31-38)27(37-17-22-8-9-23(18-37)41-22)34-26(35-28)19-3-5-20(6-4-19)32-29(39)33-21-7-10-25(30-15-21)36-11-13-40-14-12-36/h3-7,10,15-16,22-23H,2,8-9,11-14,17-18H2,1H3,(H2,32,33,39) | 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 | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50303303
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(CCN(C)C)c2n1 |TLB:14:15:22:18.19| Show InChI InChI=1S/C24H32N8O2/c1-4-25-24(33)27-17-7-5-16(6-8-17)21-28-22(31-14-18-9-10-19(15-31)34-18)20-13-26-32(23(20)29-21)12-11-30(2)3/h5-8,13,18-19H,4,9-12,14-15H2,1-3H3,(H2,25,27,33) | 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 | 3.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to PI3Kalpha by fluorescence polarization assay |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50303291
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 |TLB:23:24:31:27.28| Show InChI InChI=1S/C31H34F3N9O2/c1-40-12-14-41(15-13-40)23-8-6-22(7-9-23)37-30(44)36-21-4-2-20(3-5-21)27-38-28(42-17-24-10-11-25(18-42)45-24)26-16-35-43(29(26)39-27)19-31(32,33)34/h2-9,16,24-25H,10-15,17-19H2,1H3,(H2,36,37,44) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
Bioorg Med Chem Lett 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50303291
(1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(2...)Show SMILES CN1CCN(CC1)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1 |TLB:23:24:31:27.28| Show InChI InChI=1S/C31H34F3N9O2/c1-40-12-14-41(15-13-40)23-8-6-22(7-9-23)37-30(44)36-21-4-2-20(3-5-21)27-38-28(42-17-24-10-11-25(18-42)45-24)26-16-35-43(29(26)39-27)19-31(32,33)34/h2-9,16,24-25H,10-15,17-19H2,1H3,(H2,36,37,44) | 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 | >1.00E+4 | 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 19: 6830-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.096
BindingDB Entry DOI: 10.7270/Q2BV7GPR |
More data for this
Ligand-Target Pair | |
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