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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 = 'BDBM50469482'   
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))		BDBM50469482
PNG
(CHEMBL4278707)
Show SMILES Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2COCC1COC2)N1C2COCC1COC2 |THB:14:16:22.23.24:18.19.20|
Show InChI InChI=1S/C21H25F2N7O4/c22-18(23)15-1-17(24)25-2-16(15)19-26-20(29-11-3-31-5-12(29)6-32-4-11)28-21(27-19)30-13-7-33-9-14(30)10-34-8-13/h1-2,11-14,18H,3-10H2,(H2,24,25)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 31n/an/an/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displac...

J Med Chem 61: 10084-10105 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01262
BindingDB Entry DOI: 10.7270/Q2X92F07
More data for this
Ligand-Target Pair