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SMILES: CNc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F

InChI Key: InChIKey=LFLRMYZNGFXKMP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399394   
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))		BDBM50399394
PNG
(CHEMBL2177634)
Show SMILES CNc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H30F3N9O/c1-18-4-5-19(12-25(18)40-17-24(36-37-40)21-14-33-27(32-2)34-15-21)26(41)35-22-7-6-20(23(13-22)28(29,30)31)16-39-10-8-38(3)9-11-39/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,35,41)(H,32,33,34)
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Similars
Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay

J Med Chem 55: 10033-46 (2012)


Article DOI: 10.1021/jm301188x
BindingDB Entry DOI: 10.7270/Q2N29Z23
More data for this
Ligand-Target Pair