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BDBM178260 US9120812, 45

SMILES: CNC(=O)Nc1ccc(cc1F)-c1nc(nc2OC(C)(C)CN(C)C(=O)c12)N1CC2CCC(C1)O2

InChI Key: InChIKey=WPBZYFDKUJCZOE-UHFFFAOYNA-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 = 178260   
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 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM178260
PNG
(US9120812, 45)
Show SMILES CNC(=O)Nc1ccc(cc1F)-c1nc(nc2OC(C)(C)CN(C)C(=O)c12)N1CC2CCC(C1)O2
Show InChI InChI=1/C24H29FN6O4/c1-24(2)12-30(4)21(32)18-19(13-5-8-17(16(25)9-13)27-23(33)26-3)28-22(29-20(18)35-24)31-10-14-6-7-15(11-31)34-14/h5,8-9,14-15H,6-7,10-12H2,1-4H3,(H2,26,27,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.00E+3n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
The test uses a lucifeurerin/luciferase system to measure the concentration of ATP and its consumption during the enzymatic reaction. The test is per...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM178260
PNG
(US9120812, 45)
Show SMILES CNC(=O)Nc1ccc(cc1F)-c1nc(nc2OC(C)(C)CN(C)C(=O)c12)N1CC2CCC(C1)O2
Show InChI InChI=1/C24H29FN6O4/c1-24(2)12-30(4)21(32)18-19(13-5-8-17(16(25)9-13)27-23(33)26-3)28-22(29-20(18)35-24)31-10-14-6-7-15(11-31)34-14/h5,8-9,14-15H,6-7,10-12H2,1-4H3,(H2,26,27,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 24n/an/an/an/a7.525



Sanofi

US Patent


Assay Description
The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Bin...


US Patent US9120812 (2015)


BindingDB Entry DOI: 10.7270/Q2KH0M2D
More data for this
Ligand-Target Pair