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SMILES: FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1

InChI Key: InChIKey=PJAPLBVGRPXTEL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117272   
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 ABL1


(Homo sapiens (Human))		BDBM50117272
PNG
(CHEMBL3613487)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)20-5-3-4-19(16-20)23(32)30-14-12-29(13-15-30)22(31)18-9-7-17(8-10-18)21-6-1-2-11-28-21/h1-11,16H,12-15H2
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Similars
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay

Eur J Med Chem 101: 780-9 (2015)


BindingDB Entry DOI: 10.7270/Q2X63PQW
More data for this
Ligand-Target Pair