Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50046051 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)) | BDBM50092784
(CHEMBL3586382)Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc(cc1)-c1nc[nH]n1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092785
(CHEMBL3586383)Show SMILES Cc1cc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092786
(CHEMBL3586384)Show SMILES Cc1cc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-25-13-26-28-20)2-3-17(14)18-11-23-21-22(27-18)29(19(30)12-24-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,24)(H,25,26,28) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50431521
(CHEMBL2348864)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092783
(CHEMBL3586404)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092769
(CHEMBL3586397)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:5.5,2.1,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;5.34,-3.84,;4,-3.07,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,;2.68,-5.39,;4.01,-6.15,)| Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092782
(CHEMBL3586387)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092780
(CHEMBL3586385)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(nc1)-c1nc[nH]n1 Show InChI InChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092793
(CHEMBL3586380)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C22H28N4O3/c1-22(2,28)17-5-3-16(4-6-17)18-13-23-20-21(25-18)26(19(27)14-24-20)10-7-15-8-11-29-12-9-15/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,23,24) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50092783
(CHEMBL3586404)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of cFMS (unknown origin) |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092783
(CHEMBL3586404)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092787
(CHEMBL3585359)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(25-16)26(18(27)13-24-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,24) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092766
(CHEMBL3586401)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:22.23,wD:19.19,(-9.08,-3.23,;-8.02,-3.85,;-9.08,-4.47,;-8.02,-5.08,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;-0,-3.85,;-.01,-5.39,;1.33,-6.16,;1.32,-7.39,;2.66,-5.39,;2.66,-3.85,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H22ClFN2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-16-13-18(16)15-5-7-17(22)8-6-15/h1-8,16,18H,9-14H2/t16-,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092773
(CHEMBL3586394)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23) | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092789
(CHEMBL3586405)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2[nH]c(=O)n(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(11-21-16)15-12-22-17-18(23-15)25(19(26)24-17)8-5-13-6-9-28-10-7-13/h3-4,11-13,27H,5-10H2,1-2H3,(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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092792
(CHEMBL3586379)Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C22H28N4O3/c1-22(2,28)17-5-3-16(4-6-17)18-13-23-20-21(24-18)26(14-19(27)25-20)10-7-15-8-11-29-12-9-15/h3-6,13,15,28H,7-12,14H2,1-2H3,(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 | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092791
(CHEMBL3586389)Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H23N5O2/c27-19-13-24-20-21(26(19)8-4-14-5-9-28-10-6-14)25-18(12-23-20)15-1-2-17-16(11-15)3-7-22-17/h1-3,7,11-12,14,22H,4-6,8-10,13H2,(H,23,24) | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092781
(CHEMBL3586386)Show SMILES Cc1nc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(25-13)19-23-12-24-28-19)17-10-22-20-21(26-17)29(11-18(30)27-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,27,30)(H,23,24,28) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092771
(CHEMBL3586399)Show SMILES CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:5.5,wD:2.1,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;5.34,-3.84,;4,-3.07,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,;2.68,-5.39,;4.01,-6.15,)| Show InChI InChI=1S/C22H29N5O3/c1-22(2,29)18-9-6-15(10-23-18)17-11-24-20-21(26-17)27(19(28)12-25-20)13-14-4-7-16(30-3)8-5-14/h6,9-11,14,16,29H,4-5,7-8,12-13H2,1-3H3,(H,24,25)/t14-,16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092784
(CHEMBL3586382)Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc(cc1)-c1nc[nH]n1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092768
(CHEMBL3586403)Show SMILES CO[C@H]1CC[C@@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,)| Show InChI InChI=1S/C20H22Cl2N2/c21-17-11-18(22)13-19(12-17)24-8-6-23(7-9-24)14-16-10-20(16)15-4-2-1-3-5-15/h1-5,11-13,16,20H,6-10,14H2/t16-,20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092788
(CHEMBL3586381)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(24-16)26(13-18(27)25-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(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 | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50431519
(CHEMBL2348862)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(23-15)25(12-17(26)24-18)11-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(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
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092774
(CHEMBL3586395)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CC3CCCCC3)c2n1 Show InChI InChI=1S/C21H27N5O2/c1-21(2,28)17-9-8-15(10-22-17)16-11-23-19-20(24-16)26(13-18(27)25-19)12-14-6-4-3-5-7-14/h8-11,14,28H,3-7,12-13H2,1-2H3,(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 | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092786
(CHEMBL3586384)Show SMILES Cc1cc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-25-13-26-28-20)2-3-17(14)18-11-23-21-22(27-18)29(19(30)12-24-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,24)(H,25,26,28) | 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 PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092790
(CHEMBL3586388)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H23N5O2/c27-19-13-26(8-4-14-5-9-28-10-6-14)21-20(25-19)23-12-18(24-21)15-1-2-17-16(11-15)3-7-22-17/h1-3,7,11-12,14,22H,4-6,8-10,13H2,(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 | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092775
(CHEMBL3586396)Show SMILES CO[C@@H]1CC[C@H](CN2CC(=O)Nc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,;2.68,5.39,;4.01,6.15,)| Show InChI InChI=1S/C22H29N5O3/c1-22(2,29)18-9-6-15(10-23-18)17-11-24-20-21(25-17)27(13-19(28)26-20)12-14-4-7-16(30-3)8-5-14/h6,9-11,14,16,29H,4-5,7-8,12-13H2,1-3H3,(H,24,26,28)/t14-,16+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092777
(CHEMBL3586393)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(C3CCOCC3)c2n1 Show InChI InChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(23-14)24(16(25)11-22-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092770
(CHEMBL3586398)Show SMILES CO[C@H]1CC[C@H](CN2CC(=O)Nc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:2.1,wD:5.5,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,;2.68,5.39,;4.01,6.15,)| Show InChI InChI=1S/C18H22N4/c1-2-5-15(6-3-1)17-13-16(17)14-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h1-8,16-17H,9-14H2/t16-,17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092779
(CHEMBL3586391)Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O Show InChI InChI=1S/C17H21N5O3/c1-17(2,24)13-5-4-11(8-18-13)12-9-19-15-16(21-12)22(6-7-25-3)14(23)10-20-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092776
(CHEMBL3586392)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(C3CCOCC3)c2n1 Show InChI InChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(22-14)24(11-16(25)23-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(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 | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092773
(CHEMBL3586394)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(24-15)25(17(26)11-23-18)12-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092785
(CHEMBL3586383)Show SMILES Cc1cc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092772
(CHEMBL3586400)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1 |r,wD:19.19,22.23,(-9.08,-3.23,;-8.02,-3.85,;-9.08,-4.47,;-8.02,-5.08,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-6.16,;1.32,-7.39,;-.01,-5.39,;-0,-3.85,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H25N5O3/c1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)/t13-,14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092770
(CHEMBL3586398)Show SMILES CO[C@H]1CC[C@H](CN2CC(=O)Nc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:2.1,wD:5.5,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,;2.68,5.39,;4.01,6.15,)| Show InChI InChI=1S/C18H22N4/c1-2-5-15(6-3-1)17-13-16(17)14-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h1-8,16-17H,9-14H2/t16-,17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092787
(CHEMBL3585359)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(25-16)26(18(27)13-24-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092788
(CHEMBL3586381)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1 Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-4-3-15(11-22-17)16-12-23-19-20(24-16)26(13-18(27)25-19)8-5-14-6-9-29-10-7-14/h3-4,11-12,14,28H,5-10,13H2,1-2H3,(H,23,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092767
(CHEMBL3586402)Show SMILES CO[C@H]1CC[C@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wD:2.1,5.8,(-2.38,8.32,;-1.32,7.7,;-1.32,6.16,;-2.65,5.39,;-2.66,3.85,;-1.33,3.08,;.01,3.84,;.01,5.38,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;6.66,1.54,;5.33,.77,;7.99,3.86,;9.06,3.24,;9.06,4.47,;7.99,5.09,)| Show InChI InChI=1S/C21H25FN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092768
(CHEMBL3586403)Show SMILES CO[C@H]1CC[C@@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:5.8,wD:2.1,(2.39,8.32,;1.33,7.7,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-8.02,3.85,;-9.08,3.23,;-9.08,4.47,;-8.02,5.08,)| Show InChI InChI=1S/C20H22Cl2N2/c21-17-11-18(22)13-19(12-17)24-8-6-23(7-9-24)14-16-10-20(16)15-4-2-1-3-5-15/h1-5,11-13,16,20H,6-10,14H2/t16-,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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 mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50431519
(CHEMBL2348862)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NC(=O)CN(CC3CCOCC3)c2n1 Show InChI InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(9-21-16)15-10-22-18-19(23-15)25(12-17(26)24-18)11-13-5-7-28-8-6-13/h3-4,9-10,13,27H,5-8,11-12H2,1-2H3,(H,22,24,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092778
(CHEMBL3586390)Show SMILES COCCN1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O Show InChI InChI=1S/C17H21N5O3/c1-17(2,24)13-5-4-11(8-18-13)12-9-19-15-16(20-12)22(6-7-25-3)10-14(23)21-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(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 | 436 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092782
(CHEMBL3586387)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28) | 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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092767
(CHEMBL3586402)Show SMILES CO[C@H]1CC[C@H](CC1)N1CC(=O)Nc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wD:2.1,5.8,(-2.38,8.32,;-1.32,7.7,;-1.32,6.16,;-2.65,5.39,;-2.66,3.85,;-1.33,3.08,;.01,3.84,;.01,5.38,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;3.99,3.08,;5.33,3.85,;6.66,3.08,;6.66,1.54,;5.33,.77,;7.99,3.86,;9.06,3.24,;9.06,4.47,;7.99,5.09,)| Show InChI InChI=1S/C21H25FN2O/c1-25-21-14-18(22)7-8-20(21)24-11-9-23(10-12-24)15-17-13-19(17)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3/t17-,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50431521
(CHEMBL2348864)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27) | 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 | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092779
(CHEMBL3586391)Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O Show InChI InChI=1S/C17H21N5O3/c1-17(2,24)13-5-4-11(8-18-13)12-9-19-15-16(21-12)22(6-7-25-3)14(23)10-20-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50092783
(CHEMBL3586404)Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O |r,wU:2.1,wD:5.8,(2.39,-8.32,;1.33,-7.7,;1.33,-6.16,;-.01,-5.39,;-0,-3.85,;1.33,-3.08,;2.66,-3.85,;2.66,-5.39,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,)| Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 651 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Flt4 (unknown origin) |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092780
(CHEMBL3586385)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(nc1)-c1nc[nH]n1 Show InChI InChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092766
(CHEMBL3586401)Show SMILES CC(C)(O)c1ccc(cn1)-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:22.23,wD:19.19,(-9.08,-3.23,;-8.02,-3.85,;-9.08,-4.47,;-8.02,-5.08,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;-0,-3.85,;-.01,-5.39,;1.33,-6.16,;1.32,-7.39,;2.66,-5.39,;2.66,-3.85,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H22ClFN2/c21-19-3-1-2-4-20(19)24-11-9-23(10-12-24)14-16-13-18(16)15-5-7-17(22)8-6-15/h1-8,16,18H,9-14H2/t16-,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092781
(CHEMBL3586386)Show SMILES Cc1nc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(25-13)19-23-12-24-28-19)17-10-22-20-21(26-17)29(11-18(30)27-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,27,30)(H,23,24,28) | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50092769
(CHEMBL3586397)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1 |r,wU:5.5,2.1,(6.68,-7.38,;6.68,-6.15,;5.34,-5.38,;5.34,-3.84,;4,-3.07,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;-4.01,-1.54,;-4.01,-3.08,;-5.35,-3.85,;-6.68,-3.08,;-6.68,-1.54,;-5.35,-.77,;-8.02,-3.85,;-9.08,-3.23,;-9.08,-4.47,;-8.02,-5.08,;2.68,-5.39,;4.01,-6.15,)| Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of PI3K-alpha (unknown origin) by mobility shift assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
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