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BDBM50316279 6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine::CHEMBL1097261

SMILES: C1CN(CCO1)c1nc(nc2n(ncc12)-c1ccccc1)-c1ccc2[nH]ccc2c1

InChI Key: InChIKey=BLWDCTWBBZULIS-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 = 50316279   
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50316279
PNG
(6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyr...)
Show SMILES C1CN(CCO1)c1nc(nc2n(ncc12)-c1ccccc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2
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 27n/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50316279
PNG
(6-(1H-indol-5-yl)-4-morpholin-4-yl-1-phenyl-1H-pyr...)
Show SMILES C1CN(CCO1)c1nc(nc2n(ncc12)-c1ccccc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C23H20N6O/c1-2-4-18(5-3-1)29-23-19(15-25-29)22(28-10-12-30-13-11-28)26-21(27-23)17-6-7-20-16(14-17)8-9-24-20/h1-9,14-15,24H,10-13H2
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 231n/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