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SMILES: Fc1cccc(F)c1C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br

InChI Key: InChIKey=VYUARQKFDMSVOU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190680   
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))		BDBM50190680
PNG
(CHEMBL3937023)
Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br
Show InChI InChI=1S/C15H12BrClF2N4O/c16-9-8-20-15(17)21-13(9)22-4-6-23(7-5-22)14(24)12-10(18)2-1-3-11(12)19/h1-3,8H,4-7H2
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Article
PubMed
n/an/a 2.65E+3n/an/an/an/an/an/a



Rallis India Limited

Curated by ChEMBL


Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay

Eur J Med Chem 119: 70-82 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS
More data for this
Ligand-Target Pair