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BDBM50396316 CHEMBL2172635

SMILES: COc1cnnc(Nc2cc(nc(C)n2)-c2c(Nc3ccn[nH]3)nc3cccnn23)c1

InChI Key: InChIKey=UNITWMRQPUTNPC-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 = 50396316   
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))
BDBM50396316
PNG
(CHEMBL2172635)
Show SMILES COc1cnnc(Nc2cc(nc(C)n2)-c2c(Nc3ccn[nH]3)nc3cccnn23)c1
Show InChI InChI=1S/C19H17N11O/c1-11-23-13(9-15(24-11)25-16-8-12(31-2)10-21-29-16)18-19(26-14-5-7-20-28-14)27-17-4-3-6-22-30(17)18/h3-10H,1-2H3,(H2,20,26,28)(H,23,24,25,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396316
PNG
(CHEMBL2172635)
Show SMILES COc1cnnc(Nc2cc(nc(C)n2)-c2c(Nc3ccn[nH]3)nc3cccnn23)c1
Show InChI InChI=1S/C19H17N11O/c1-11-23-13(9-15(24-11)25-16-8-12(31-2)10-21-29-16)18-19(26-14-5-7-20-28-14)27-17-4-3-6-22-30(17)18/h3-10H,1-2H3,(H2,20,26,28)(H,23,24,25,29)
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 54n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by AlphaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair