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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50425783'   
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))
BDBM50425783
PNG
(CHEMBL2316579)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc4[nH]ncc4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H28F3N5O/c1-20-3-6-23(16-22(20)7-4-21-5-10-28-25(15-21)18-34-36-28)29(39)35-26-9-8-24(27(17-26)30(31,32)33)19-38-13-11-37(2)12-14-38/h3,5-6,8-10,15-18H,11-14,19H2,1-2H3,(H,34,36)(H,35,39)
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Article
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n/an/a 14n/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