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BDBM196551 US9670214, TABLE 15.2

SMILES: CN1C(=O)Cc2c1ncnc2Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=VVRBVDHDVLHQFS-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 = 196551   
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))
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
BCR/ABL fusion protein isoform X3


(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

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