BindingDB logo
myBDB logout

BDBM195888 US9670214, TABLE 10.1

SMILES: FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ncc23)cc1

InChI Key: InChIKey=BORBQIBMVCBFML-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 = 195888   
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))
BDBM195888
PNG
(US9670214, TABLE 10.1)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ncc23)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)
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
BCR/ABL fusion protein isoform X3


(Human)
BDBM195888
PNG
(US9670214, TABLE 10.1)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ncc23)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30E+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