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BDBM50316291 CHEMBL1095281::N-Methyl-N-[4-(4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]acetamide

SMILES: CN(C(C)=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1

InChI Key: InChIKey=FGNWNPNHRQNBPI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316291   
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))
BDBM50316291
PNG
(CHEMBL1095281 | N-Methyl-N-[4-(4-morpholin-4-yl-1-...)
Show SMILES CN(C(C)=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
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 792n/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))
BDBM50316291
PNG
(CHEMBL1095281 | N-Methyl-N-[4-(4-morpholin-4-yl-1-...)
Show SMILES CN(C(C)=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show InChI InChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
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 480n/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