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SMILES: C[C@@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1cccc2[nH]ccc12)N1CCC(CC1)C(F)(F)F

InChI Key: InChIKey=LULYEEYVBRHNGO-LVHCJKAXSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 227501   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM227501
PNG
(US9334271, 22)
Show SMILES C[C@@H]1COCCN1c1nc(nc2[nH]c(nc12)-c1cccc2[nH]ccc12)N1CCC(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N7O/c1-14-13-35-12-11-34(14)22-19-21(30-20(29-19)17-3-2-4-18-16(17)5-8-28-18)31-23(32-22)33-9-6-15(7-10-33)24(25,26)27/h2-5,8,14-15H,6-7,9-13H2,1H3/b20-17-/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.51E+3n/an/an/an/a7.525



Novarits AG

US Patent


Assay Description
1. 8-point serial dilutions of compounds (10 mM stock) are performed in 90% DMSO in a 384-well "masterplate" and 50 nL is transferred onto 384-well a...


US Patent US9334271 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MCT
More data for this
Ligand-Target Pair