BindingDB logo
myBDB logout

BDBM50328131 2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1258813::US9670214, TABLE 10.6

SMILES: FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1

InChI Key: InChIKey=DPLINHZLXGDQFX-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50328131   
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))
BDBM50328131
PNG
(2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20E+3n/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))
BDBM50328131
PNG
(2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 6.20E+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)
BDBM50328131
PNG
(2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.20E+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