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SMILES: Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1

InChI Key: InChIKey=JIYHONURKBPYTD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117280   
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))		BDBM50117280
PNG
(CHEMBL3613509)
Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C21H18FN3O2S/c22-18-3-1-2-17(14-18)21(27)25-11-9-24(10-12-25)20(26)16-6-4-15(5-7-16)19-23-8-13-28-19/h1-8,13-14H,9-12H2
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.44E+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