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BDBM150992 US8987257, 5

SMILES: C[C@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1ccnc2[nH]ccc12)N1CCC(F)(F)CC1

InChI Key: InChIKey=GPADWYAIKTYMTC-VLFBTDHHSA-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 = 150992   
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))
BDBM150992
PNG
(US8987257, 5)
Show SMILES C[C@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1ccnc2[nH]ccc12)N1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C22H22F2N8O/c1-13-12-33-11-10-32(13)20-16-19(29-21(30-20)31-8-4-22(23,24)5-9-31)28-18(27-16)15-3-7-26-17-14(15)2-6-25-17/h2-3,6-7,13H,4-5,8-12H2,1H3/b18-15-/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>9.10E+3n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
PI3K KinaseGlo assay: 50 mL of compound dilutions were dispensed onto black 384-well low volume Non Binding Styrene (NBS) plates (Costar Cat. No. NBS...


US Patent US8987257 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F2B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM150992
PNG
(US8987257, 5)
Show SMILES C[C@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1ccnc2[nH]ccc12)N1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C22H22F2N8O/c1-13-12-33-11-10-32(13)20-16-19(29-21(30-20)31-8-4-22(23,24)5-9-31)28-18(27-16)15-3-7-26-17-14(15)2-6-25-17/h2-3,6-7,13H,4-5,8-12H2,1H3/b18-15-/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 150n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
IC50s for mTOR interacting compounds were assessed using the FRAP1/mTOR TR-FRET tracer assay (Invitrogen by Life Technologies). FRAP1/mTOR (PV4753) a...


US Patent US8987257 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F2B
More data for this
Ligand-Target Pair