BindingDB logo
myBDB logout

BDBM196589 US9670214, TABLE 16.38

SMILES: FC(F)(F)Oc1ccc(Nc2nccn2-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1

InChI Key: InChIKey=NROIBDPDLCVPGL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 196589   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM196589
PNG
(US9670214, TABLE 16.38)
Show SMILES FC(F)(F)Oc1ccc(Nc2nccn2-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1
Show InChI InChI=1S/C21H14F6N6O2/c22-20(23,24)34-15-5-1-13(2-6-15)31-17-11-18(30-12-29-17)33-10-9-28-19(33)32-14-3-7-16(8-4-14)35-21(25,26)27/h1-12H,(H,28,32)(H,29,30,31)
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
BCR/ABL fusion protein isoform X3


(Homo sapiens (Human))
BDBM196589
PNG
(US9670214, TABLE 16.38)
Show SMILES FC(F)(F)Oc1ccc(Nc2nccn2-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1
Show InChI InChI=1S/C21H14F6N6O2/c22-20(23,24)34-15-5-1-13(2-6-15)31-17-11-18(30-12-29-17)33-10-9-28-19(33)32-14-3-7-16(8-4-14)35-21(25,26)27/h1-12H,(H,28,32)(H,29,30,31)
PDB

UniProtKB/TrEMBL

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