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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM245538'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM245538
PNG
(US9428503, 68)
Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2F)n(C)c1=O |r|
Show InChI InChI=1S/C27H32FN5O3/c1-31(2)12-5-13-36-24-11-9-20(26(28)30-24)17-6-10-22-21(14-17)25-23(16-29-22)32(3)27(34)33(25)18-7-8-19(15-18)35-4/h6,9-11,14,16,18-19H,5,7-8,12-13,15H2,1-4H3/t18-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.18E+3n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
Assay d) MDA-MB-468 cells (human breast adenocarcinoma ##ATCC HTB 132) were seeded at 1500 cells/well in 40 μl of DMEM containing 10% FBS and 1% g...


US Patent US9428503 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GVJ
More data for this
Ligand-Target Pair