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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'BCR/ABL fusion protein (T351I)' and Ligand = 'BDBM196551'   
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
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196551
PNG
(US9670214, TABLE 15.2)
Show SMILES CN1C(=O)Cc2c1ncnc2Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H11F3N4O2/c1-21-11(22)6-10-12(18-7-19-13(10)21)20-8-2-4-9(5-3-8)23-14(15,16)17/h2-5,7H,6H2,1H3,(H,18,19,20)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.5n/a



Dana-Farber Cancer Institute Inc

US Patent


Assay Description
In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...


US Patent US9670214 (2017)


BindingDB Entry DOI: 10.7270/Q2000086
More data for this
Ligand-Target Pair