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BDBM50316261 CHEMBL1098248::methyl 4-(4-morpholino-6-(4-(3-(4-(2-morpholinoethyl)phenyl)ureido)phenyl)-1Hpyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

SMILES: COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1

InChI Key: InChIKey=BZXCVHXYXYFXQP-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 = 50316261   
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))
BDBM50316261
PNG
(CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
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 41n/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))
BDBM50316261
PNG
(CHEMBL1098248 | methyl 4-(4-morpholino-6-(4-(3-(4-...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C35H43N9O5/c1-47-35(46)43-14-11-29(12-15-43)44-33-30(24-36-44)32(42-18-22-49-23-19-42)39-31(40-33)26-4-8-28(9-5-26)38-34(45)37-27-6-2-25(3-7-27)10-13-41-16-20-48-21-17-41/h2-9,24,29H,10-23H2,1H3,(H2,37,38,45)
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 0.600n/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