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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 = 'BDBM196615'   
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))
BDBM196615
PNG
(US9670214, TABLE 16.64)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1
Show InChI InChI=1S/C22H14F6N6O2/c23-21(24,25)35-15-5-1-13(2-6-15)33-19-9-17(29-11-31-19)18-10-20(32-12-30-18)34-14-3-7-16(8-4-14)36-22(26,27)28/h1-12H,(H,29,31,33)(H,30,32,34)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+3n/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