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BDBM50316285 5-(4-Morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-pyridin-2-amine::CHEMBL1095618

SMILES: Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1

InChI Key: InChIKey=VREXRLSVTLIYBI-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316285   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316285
PNG
(5-(4-Morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-17-7-6-14(12-22-17)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H2,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by DELFIA assay


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316285
PNG
(5-(4-Morpholino-1-phenyl-1H-pyrazolo[3,4-d]pyrimid...)
Show SMILES Nc1ccc(cn1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C20H19N7O/c21-17-7-6-14(12-22-17)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H2,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair