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BDBM50316263 1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo-[3,4-d]pyrimidin-6-yl]phenyl}-3-(1H-imidazol-2-yl)urea::CHEMBL1097902

SMILES: O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1

InChI Key: InChIKey=FTALCBNCXWPPIP-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 = 50316263   
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))
BDBM50316263
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H34N10O2/c42-31(38-30-32-12-13-33-30)35-24-8-6-23(7-9-24)27-36-28(40-16-18-43-19-17-40)26-20-34-41(29(26)37-27)25-10-14-39(15-11-25)21-22-4-2-1-3-5-22/h1-9,12-13,20,25H,10-11,14-19,21H2,(H3,32,33,35,38,42)
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 30n/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))
BDBM50316263
PNG
(1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-...)
Show SMILES O=C(Nc1ncc[nH]1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show InChI InChI=1S/C31H34N10O2/c42-31(38-30-32-12-13-33-30)35-24-8-6-23(7-9-24)27-36-28(40-16-18-43-19-17-40)26-20-34-41(29(26)37-27)25-10-14-39(15-11-25)21-22-4-2-1-3-5-22/h1-9,12-13,20,25H,10-11,14-19,21H2,(H3,32,33,35,38,42)
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 0.700n/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