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1 similar compounds to monomer 50328162

Compile data set for download or QSAR
Wt: 370.3
BDBM50328160

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50328160   
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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328160
PNG
(6-(1H-indol-4-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 140n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
BCR/ABL fusion protein (T351I)


(Homo sapiens (Human))
BDBM50328160
PNG
(6-(1H-indol-4-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 6.67E+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
BCR/ABL fusion protein isoform X3


(Human)
BDBM50328160
PNG
(6-(1H-indol-4-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 140n/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