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BDBM50425791 CHEMBL2316583

SMILES: CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=PZVUMQCERICNEV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50425791   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50425791
PNG
(CHEMBL2316583)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H25F3N6O/c1-36-9-11-37(12-10-36)18-22-7-8-24(15-25(22)28(29,30)31)34-27(38)21-4-2-3-19(13-21)5-6-20-14-23-17-33-35-26(23)32-16-20/h2-4,7-8,13-17H,9-12,18H2,1H3,(H,34,38)(H,32,33,35)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 0.580n/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)

More data for this
Ligand-Target Pair