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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50425789   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50425789
PNG
(CHEMBL2316585)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H29F3N6O/c1-39-10-12-40(13-11-39)19-24-6-8-26(16-28(24)31(32,33)34)37-30(41)23-7-9-27(21-4-5-21)22(15-23)3-2-20-14-25-18-36-38-29(25)35-17-20/h6-9,14-18,21H,4-5,10-13,19H2,1H3,(H,37,41)(H,35,36,38)
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Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay

J Med Chem 56: 879-94 (2013)


Article DOI: 10.1021/jm301581y
BindingDB Entry DOI: 10.7270/Q2V40WH7
More data for this
Ligand-Target Pair