Found 78 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)) | BDBM50362941
(CHEMBL1946264)Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362903
(CHEMBL1945953)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362928
(CHEMBL1945955)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)12-13-5-9-28-10-6-13)24-16(11-23-18)14-1-3-15(4-2-14)17-21-7-8-22-17/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22)(H,23,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362942
(CHEMBL1946265)Show SMILES CNc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1 Show InChI InChI=1S/C19H21N7O2/c1-20-18-23-13-3-2-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-6-28-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H2,20,23,24)(H,21,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362926
(CHEMBL1945952)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C20H21N7O/c28-20-25-18-19(27(20)11-13-4-2-1-3-5-13)24-16(10-21-18)14-6-8-15(9-7-14)17-22-12-23-26-17/h6-10,12-13H,1-5,11H2,(H,21,25,28)(H,22,23,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362927
(CHEMBL1945954)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-17(12-24-19)15-6-8-16(9-7-15)18-22-10-11-23-18/h6-12,14H,1-5,13H2,(H,22,23)(H,24,26,28) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362940
(CHEMBL1946263)Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1 Show InChI InChI=1S/C18H19N7O2/c19-17-22-12-2-1-11(7-13(12)23-17)14-8-20-15-16(21-14)25(18(26)24-15)9-10-3-5-27-6-4-10/h1-2,7-8,10H,3-6,9H2,(H3,19,22,23)(H,20,24,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362943
(CHEMBL1946266)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362939
(CHEMBL1946262)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362938
(CHEMBL1946261)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C18H18N6O2/c25-18-23-16-17(24(18)9-11-3-5-26-6-4-11)22-15(8-19-16)12-1-2-13-14(7-12)21-10-20-13/h1-2,7-8,10-11H,3-6,9H2,(H,20,21)(H,19,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362925
(CHEMBL1945950)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362943
(CHEMBL1946266)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362928
(CHEMBL1945955)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)12-13-5-9-28-10-6-13)24-16(11-23-18)14-1-3-15(4-2-14)17-21-7-8-22-17/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22)(H,23,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362918
(CHEMBL1945796)Show SMILES OCc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H22N4O2/c24-12-14-6-8-15(9-7-14)16-10-20-17-18(21-16)23(19(25)22-17)11-13-4-2-1-3-5-13/h6-10,13,24H,1-5,11-12H2,(H,20,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362944
(CHEMBL1946267)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H21N5O/c26-20-24-18-19(25(20)12-13-4-2-1-3-5-13)23-17(11-22-18)14-6-7-16-15(10-14)8-9-21-16/h6-11,13,21H,1-5,12H2,(H,22,24,26) | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362921
(CHEMBL1945799)Show SMILES NC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362941
(CHEMBL1946264)Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362922
(CHEMBL1945800)Show SMILES CNC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C20H23N5O2/c1-21-19(26)15-9-7-14(8-10-15)16-11-22-17-18(23-16)25(20(27)24-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,21,26)(H,22,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362934
(CHEMBL1946130)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-18(12-22-19)16-8-6-15(7-9-16)17-10-23-24-11-17/h6-12,14H,1-5,13H2,(H,23,24)(H,22,26,28) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362919
(CHEMBL1945797)Show SMILES OC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H20N4O3/c24-18(25)14-8-6-13(7-9-14)15-10-20-16-17(21-15)23(19(26)22-16)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,24,25)(H,20,22,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362939
(CHEMBL1946262)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26) | 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 | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362903
(CHEMBL1945953)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362935
(CHEMBL1946131)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C20H20N6O2/c27-20-24-18-19(25(20)13-14-6-10-28-11-7-14)23-17(12-21-18)15-2-4-16(5-3-15)26-9-1-8-22-26/h1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362916
(CHEMBL1945794)Show SMILES NC(=O)[C@H]1CC[C@@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 |r,wU:6.9,wD:3.2,(40.89,-22.62,;39.35,-22.64,;38.56,-21.32,;38.6,-23.98,;37.05,-24.01,;36.3,-25.35,;37.1,-26.67,;38.64,-26.65,;39.38,-25.31,;36.35,-28.01,;34.89,-28.5,;33.55,-27.73,;32.24,-28.51,;32.23,-30.05,;33.56,-30.82,;34.89,-30.04,;36.36,-30.51,;37.26,-29.26,;38.8,-29.25,;30.9,-27.74,;29.56,-28.51,;28.23,-27.74,;28.23,-26.2,;26.9,-25.43,;29.56,-25.42,;30.89,-26.19,)| Show InChI InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,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 | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362915
(CHEMBL1945793)Show SMILES NC(=O)[C@H]1CC[C@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 |r,wU:6.9,3.2,(20.63,-21.46,;19.09,-21.48,;18.3,-20.16,;18.33,-22.82,;19.12,-24.15,;18.37,-25.49,;16.84,-25.51,;16.04,-24.19,;16.79,-22.85,;16.09,-26.86,;14.63,-27.34,;13.29,-26.58,;11.97,-27.35,;11.97,-28.89,;13.3,-29.66,;14.63,-28.88,;16.1,-29.35,;17,-28.1,;18.54,-28.1,;10.64,-26.58,;9.3,-27.35,;7.97,-26.58,;7.97,-25.04,;6.64,-24.27,;9.3,-24.27,;10.63,-25.03,)| Show InChI InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,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 | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362936
(CHEMBL1946132)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H20N6O/c26-19-23-17-18(25(19)11-12-4-2-1-3-5-12)22-16(10-20-17)13-6-7-15-14(8-13)9-21-24-15/h6-10,12H,1-5,11H2,(H,21,24)(H,20,23,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362941
(CHEMBL1946264)Show SMILES Nc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N7O/c20-18-23-13-7-6-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H3,20,23,24)(H,21,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362943
(CHEMBL1946266)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362903
(CHEMBL1945953)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362928
(CHEMBL1945955)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)12-13-5-9-28-10-6-13)24-16(11-23-18)14-1-3-15(4-2-14)17-21-7-8-22-17/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,21,22)(H,23,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362925
(CHEMBL1945950)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362911
(CHEMBL1945789)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1 Show InChI InChI=1S/C17H18N4O3/c22-13-3-1-12(2-4-13)14-9-18-15-16(19-14)21(17(23)20-15)10-11-5-7-24-8-6-11/h1-4,9,11,22H,5-8,10H2,(H,18,20,23) | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362937
(CHEMBL1946133)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1cnc2nc[nH]c2c1 Show InChI InChI=1S/C17H17N7O2/c25-17-23-15-16(24(17)8-10-1-3-26-4-2-10)22-13(7-19-15)11-5-12-14(18-6-11)21-9-20-12/h5-7,9-10H,1-4,8H2,(H,18,20,21)(H,19,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362939
(CHEMBL1946262)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26) | 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 | 427 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362930
(CHEMBL1945957)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C21H22N6O/c28-21-25-19-20(27(21)13-15-4-2-1-3-5-15)24-18(12-23-19)16-6-8-17(9-7-16)26-11-10-22-14-26/h6-12,14-15H,1-5,13H2,(H,23,25,28) | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50362925
(CHEMBL1945950)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362905
(CHEMBL1945492)Show SMILES COc1ccc(Cn2c3nc(cnc3[nH]c2=O)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C19H16N4O3/c1-26-15-8-2-12(3-9-15)11-23-18-17(22-19(23)25)20-10-16(21-18)13-4-6-14(24)7-5-13/h2-10,24H,11H2,1H3,(H,20,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362936
(CHEMBL1946132)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H20N6O/c26-19-23-17-18(25(19)11-12-4-2-1-3-5-12)22-16(10-20-17)13-6-7-15-14(8-13)9-21-24-15/h6-10,12H,1-5,11H2,(H,21,24)(H,20,23,26) | 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 | 633 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362908
(CHEMBL1945495)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C18H20N4O2/c23-14-8-6-13(7-9-14)15-10-19-16-17(20-15)22(18(24)21-16)11-12-4-2-1-3-5-12/h6-10,12,23H,1-5,11H2,(H,19,21,24) | 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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50362939
(CHEMBL1946262)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of GSK3alpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362910
(CHEMBL1945788)Show InChI InChI=1S/C15H16N4O2/c1-9(2)8-19-14-13(18-15(19)21)16-7-12(17-14)10-3-5-11(20)6-4-10/h3-7,9,20H,8H2,1-2H3,(H,16,18,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362946
(CHEMBL1945496)Show InChI InChI=1S/C14H14N4O2/c1-8(2)18-13-12(17-14(18)20)15-7-11(16-13)9-3-5-10(19)6-4-9/h3-8,19H,1-2H3,(H,15,17,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362906
(CHEMBL1945493)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3cccc(O)c3)c2n1 Show InChI InChI=1S/C18H14N4O3/c23-13-6-4-12(5-7-13)15-9-19-16-17(20-15)22(18(25)21-16)10-11-2-1-3-14(24)8-11/h1-9,23-24H,10H2,(H,19,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362902
(CHEMBL1945491)Show SMILES COc1cccc(Cn2c3nc(cnc3[nH]c2=O)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C19H16N4O3/c1-26-15-4-2-3-12(9-15)11-23-18-17(22-19(23)25)20-10-16(21-18)13-5-7-14(24)8-6-13/h2-10,24H,11H2,1H3,(H,20,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362925
(CHEMBL1945950)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26) | 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 | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362932
(CHEMBL1945959)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C21H21N5O2/c27-21-25-19-20(26(21)12-14-4-2-1-3-5-14)24-17(10-23-19)15-6-8-16(9-7-15)18-11-22-13-28-18/h6-11,13-14H,1-5,12H2,(H,23,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362947
(CHEMBL1945951)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C19H20N8O/c28-19-22-17-18(27(19)11-12-4-2-1-3-5-12)21-15(10-20-17)13-6-8-14(9-7-13)16-23-25-26-24-16/h6-10,12H,1-5,11H2,(H,20,22,28)(H,23,24,25,26) | 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 | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362914
(CHEMBL1945792)Show InChI InChI=1S/C16H16N4O3/c21-12-3-1-10(2-4-12)13-9-17-14-15(18-13)20(16(22)19-14)11-5-7-23-8-6-11/h1-4,9,11,21H,5-8H2,(H,17,19,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362933
(CHEMBL1945960)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1cc[nH]n1 Show InChI InChI=1S/C21H22N6O/c28-21-25-19-20(27(21)13-14-4-2-1-3-5-14)24-18(12-22-19)16-8-6-15(7-9-16)17-10-11-23-26-17/h6-12,14H,1-5,13H2,(H,23,26)(H,22,25,28) | 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 | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362907
(CHEMBL1945494)Show SMILES Oc1ccc(cc1)-c1cnc2[nH]c(=O)n(Cc3ccccc3)c2n1 Show InChI InChI=1S/C18H14N4O2/c23-14-8-6-13(7-9-14)15-10-19-16-17(20-15)22(18(24)21-16)11-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,19,21,24) | 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 | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362929
(CHEMBL1945956)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)11-13-5-7-28-8-6-13)24-17(10-22-18)15-3-1-14(2-4-15)16-9-21-12-23-16/h1-4,9-10,12-13H,5-8,11H2,(H,21,23)(H,22,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362909
(CHEMBL1945787)Show InChI InChI=1S/C14H14N4O3/c1-21-7-6-18-13-12(17-14(18)20)15-8-11(16-13)9-2-4-10(19)5-3-9/h2-5,8,19H,6-7H2,1H3,(H,15,17,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362904
(CHEMBL1945490)Show SMILES COc1ccccc1Cn1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C19H16N4O3/c1-26-16-5-3-2-4-13(16)11-23-18-17(22-19(23)25)20-10-15(21-18)12-6-8-14(24)9-7-12/h2-10,24H,11H2,1H3,(H,20,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362903
(CHEMBL1945953)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362913
(CHEMBL1945791)Show InChI InChI=1S/C17H18N4O2/c22-13-8-6-11(7-9-13)14-10-18-15-16(19-14)21(17(23)20-15)12-4-2-1-3-5-12/h6-10,12,22H,1-5H2,(H,18,20,23) | 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 | 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362945
(CHEMBL1946268)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C20H21N5O/c26-20-24-18-19(25(20)12-13-4-2-1-3-5-13)23-17(11-22-18)15-7-6-14-8-9-21-16(14)10-15/h6-11,13,21H,1-5,12H2,(H,22,24,26) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362916
(CHEMBL1945794)Show SMILES NC(=O)[C@H]1CC[C@@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 |r,wU:6.9,wD:3.2,(40.89,-22.62,;39.35,-22.64,;38.56,-21.32,;38.6,-23.98,;37.05,-24.01,;36.3,-25.35,;37.1,-26.67,;38.64,-26.65,;39.38,-25.31,;36.35,-28.01,;34.89,-28.5,;33.55,-27.73,;32.24,-28.51,;32.23,-30.05,;33.56,-30.82,;34.89,-30.04,;36.36,-30.51,;37.26,-29.26,;38.8,-29.25,;30.9,-27.74,;29.56,-28.51,;28.23,-27.74,;28.23,-26.2,;26.9,-25.43,;29.56,-25.42,;30.89,-26.19,)| Show InChI InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362916
(CHEMBL1945794)Show SMILES NC(=O)[C@H]1CC[C@@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 |r,wU:6.9,wD:3.2,(40.89,-22.62,;39.35,-22.64,;38.56,-21.32,;38.6,-23.98,;37.05,-24.01,;36.3,-25.35,;37.1,-26.67,;38.64,-26.65,;39.38,-25.31,;36.35,-28.01,;34.89,-28.5,;33.55,-27.73,;32.24,-28.51,;32.23,-30.05,;33.56,-30.82,;34.89,-30.04,;36.36,-30.51,;37.26,-29.26,;38.8,-29.25,;30.9,-27.74,;29.56,-28.51,;28.23,-27.74,;28.23,-26.2,;26.9,-25.43,;29.56,-25.42,;30.89,-26.19,)| Show InChI InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362942
(CHEMBL1946265)Show SMILES CNc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1 Show InChI InChI=1S/C19H21N7O2/c1-20-18-23-13-3-2-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-6-28-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H2,20,23,24)(H,21,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362915
(CHEMBL1945793)Show SMILES NC(=O)[C@H]1CC[C@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 |r,wU:6.9,3.2,(20.63,-21.46,;19.09,-21.48,;18.3,-20.16,;18.33,-22.82,;19.12,-24.15,;18.37,-25.49,;16.84,-25.51,;16.04,-24.19,;16.79,-22.85,;16.09,-26.86,;14.63,-27.34,;13.29,-26.58,;11.97,-27.35,;11.97,-28.89,;13.3,-29.66,;14.63,-28.88,;16.1,-29.35,;17,-28.1,;18.54,-28.1,;10.64,-26.58,;9.3,-27.35,;7.97,-26.58,;7.97,-25.04,;6.64,-24.27,;9.3,-24.27,;10.63,-25.03,)| Show InChI InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362915
(CHEMBL1945793)Show SMILES NC(=O)[C@H]1CC[C@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1 |r,wU:6.9,3.2,(20.63,-21.46,;19.09,-21.48,;18.3,-20.16,;18.33,-22.82,;19.12,-24.15,;18.37,-25.49,;16.84,-25.51,;16.04,-24.19,;16.79,-22.85,;16.09,-26.86,;14.63,-27.34,;13.29,-26.58,;11.97,-27.35,;11.97,-28.89,;13.3,-29.66,;14.63,-28.88,;16.1,-29.35,;17,-28.1,;18.54,-28.1,;10.64,-26.58,;9.3,-27.35,;7.97,-26.58,;7.97,-25.04,;6.64,-24.27,;9.3,-24.27,;10.63,-25.03,)| Show InChI InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362920
(CHEMBL1945798)Show SMILES NCc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H23N5O/c20-10-13-6-8-15(9-7-13)16-11-21-17-18(22-16)24(19(25)23-17)12-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12,20H2,(H,21,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362924
(CHEMBL1945949)Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C22H27N5O2/c1-14(2)24-21(28)17-10-8-16(9-11-17)18-12-23-19-20(25-18)27(22(29)26-19)13-15-6-4-3-5-7-15/h8-12,14-15H,3-7,13H2,1-2H3,(H,24,28)(H,23,26,29) | 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 | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362931
(CHEMBL1945958)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-n1ccnn1 Show InChI InChI=1S/C20H21N7O/c28-20-24-18-19(26(20)13-14-4-2-1-3-5-14)23-17(12-21-18)15-6-8-16(9-7-15)27-11-10-22-25-27/h6-12,14H,1-5,13H2,(H,21,24,28) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM36609
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362923
(CHEMBL1945948)Show SMILES COC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C20H22N4O3/c1-27-19(25)15-9-7-14(8-10-15)16-11-21-17-18(22-16)24(20(26)23-17)12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,21,23,26) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362917
(CHEMBL1945795)Show InChI InChI=1S/C18H20N4O/c23-18-21-16-17(22(18)12-13-7-3-1-4-8-13)20-15(11-19-16)14-9-5-2-6-10-14/h2,5-6,9-11,13H,1,3-4,7-8,12H2,(H,19,21,23) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362936
(CHEMBL1946132)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H20N6O/c26-19-23-17-18(25(19)11-12-4-2-1-3-5-12)22-16(10-20-17)13-6-7-15-14(8-13)9-21-24-15/h6-10,12H,1-5,11H2,(H,21,24)(H,20,23,26) | 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 | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362912
(CHEMBL1945790)Show SMILES CN1CCC(Cn2c3nc(cnc3[nH]c2=O)-c2ccc(O)cc2)CC1 Show InChI InChI=1S/C18H21N5O2/c1-22-8-6-12(7-9-22)11-23-17-16(21-18(23)25)19-10-15(20-17)13-2-4-14(24)5-3-13/h2-5,10,12,24H,6-9,11H2,1H3,(H,19,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362939
(CHEMBL1946262)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H20N6O/c26-19-24-17-18(25(19)10-12-4-2-1-3-5-12)23-16(9-20-17)13-6-7-14-15(8-13)22-11-21-14/h6-9,11-12H,1-5,10H2,(H,21,22)(H,20,24,26) | 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 | 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362925
(CHEMBL1945950)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C21H26N4O2/c1-21(2,27)16-10-8-15(9-11-16)17-12-22-18-19(23-17)25(20(26)24-18)13-14-6-4-3-5-7-14/h8-12,14,27H,3-7,13H2,1-2H3,(H,22,24,26) | 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 | 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362919
(CHEMBL1945797)Show SMILES OC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H20N4O3/c24-18(25)14-8-6-13(7-9-14)15-10-20-16-17(21-15)23(19(26)22-16)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,24,25)(H,20,22,26) | 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 | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362943
(CHEMBL1946266)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCOCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362934
(CHEMBL1946130)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N6O/c28-21-26-19-20(27(21)13-14-4-2-1-3-5-14)25-18(12-22-19)16-8-6-15(7-9-16)17-10-23-24-11-17/h6-12,14H,1-5,13H2,(H,23,24)(H,22,26,28) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362942
(CHEMBL1946265)Show SMILES CNc1nc2ccc(cc2[nH]1)-c1cnc2[nH]c(=O)n(CC3CCOCC3)c2n1 Show InChI InChI=1S/C19H21N7O2/c1-20-18-23-13-3-2-12(8-14(13)24-18)15-9-21-16-17(22-15)26(19(27)25-16)10-11-4-6-28-7-5-11/h2-3,8-9,11H,4-7,10H2,1H3,(H2,20,23,24)(H,21,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362921
(CHEMBL1945799)Show SMILES NC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362918
(CHEMBL1945796)Show SMILES OCc1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H22N4O2/c24-12-14-6-8-15(9-7-14)16-10-20-17-18(21-16)23(19(25)22-17)11-13-4-2-1-3-5-13/h6-10,13,24H,1-5,11-12H2,(H,20,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50362944
(CHEMBL1946267)Show SMILES O=c1[nH]c2ncc(nc2n1CC1CCCCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H21N5O/c26-20-24-18-19(25(20)12-13-4-2-1-3-5-13)23-17(11-22-18)14-6-7-16-15(10-14)8-9-21-16/h6-11,13,21H,1-5,12H2,(H,22,24,26) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035
BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this
Ligand-Target Pair | |
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