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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 = 'BDBM196236'   
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))
BDBM196236
PNG
(US9670214, TABLE 10.39)
Show SMILES Cc1cccc(c1C)-n1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C20H16F3N5O/c1-12-4-3-5-17(13(12)2)28-10-16-18(24-11-25-19(16)27-28)26-14-6-8-15(9-7-14)29-20(21,22)23/h3-11H,1-2H3,(H,24,25,26,27)
PDB

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



DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE

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