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BDBM196611 US9670214, TABLE 16.60

SMILES: Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cccc2[nH]ccc12

InChI Key: InChIKey=JOHGCEMGLYONCE-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 = 196611   
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))
BDBM196611
PNG
(US9670214, TABLE 16.60)
Show SMILES Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cccc2[nH]ccc12
Show InChI InChI=1S/C20H15F3N4O/c1-12-18(16-3-2-4-17-15(16)9-10-24-17)25-11-26-19(12)27-13-5-7-14(8-6-13)28-20(21,22)23/h2-11,24H,1H3,(H,25,26,27)
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))
BDBM196611
PNG
(US9670214, TABLE 16.60)
Show SMILES Cc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1-c1cccc2[nH]ccc12
Show InChI InChI=1S/C20H15F3N4O/c1-12-18(16-3-2-4-17-15(16)9-10-24-17)25-11-26-19(12)27-13-5-7-14(8-6-13)28-20(21,22)23/h2-11,24H,1H3,(H,25,26,27)
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