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SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnn4cccnc34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=KGUOPPORYLAEOV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399397   
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))		BDBM50399397
PNG
(CHEMBL2177631)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnn4cccnc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H28F3N9O/c1-19-4-5-20(14-26(19)41-18-25(36-37-41)23-16-34-40-9-3-8-33-27(23)40)28(42)35-22-7-6-21(24(15-22)29(30,31)32)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,35,42)
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Similars
Article
PubMed
n/an/a 2.25n/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