Found 2 hits for monomerid = 50092771 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | 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)) | 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 | 4.70E+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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