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BDBM196627 US9670214, TABLE 17.3

SMILES: FC(F)(F)Oc1ccc(Nc2c(C=O)cnc3n(CCN4CCOCC4)ccc23)c(Br)c1

InChI Key: InChIKey=ZVMMPTHNRZCFGF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 196627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM196627
PNG
(US9670214, TABLE 17.3)
Show SMILES FC(F)(F)Oc1ccc(Nc2c(C=O)cnc3n(CCN4CCOCC4)ccc23)c(Br)c1
Show InChI InChI=1S/C21H20BrF3N4O3/c22-17-11-15(32-21(23,24)25)1-2-18(17)27-19-14(13-30)12-26-20-16(19)3-4-29(20)6-5-28-7-9-31-10-8-28/h1-4,11-13H,5-10H2,(H,26,27)
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))
BDBM196627
PNG
(US9670214, TABLE 17.3)
Show SMILES FC(F)(F)Oc1ccc(Nc2c(C=O)cnc3n(CCN4CCOCC4)ccc23)c(Br)c1
Show InChI InChI=1S/C21H20BrF3N4O3/c22-17-11-15(32-21(23,24)25)1-2-18(17)27-19-14(13-30)12-26-20-16(19)3-4-29(20)6-5-28-7-9-31-10-8-28/h1-4,11-13H,5-10H2,(H,26,27)
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