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BDBM50425785 CHEMBL2316871

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(-c5ccccc5)c4c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=ZCVSFAMUZKLEDA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50425785   
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))
BDBM50425785
PNG
(CHEMBL2316871)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(-c5ccccc5)c4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C35H31F3N6O/c1-23-8-10-27(19-26(23)11-9-24-18-30-32(25-6-4-3-5-7-25)41-42-33(30)39-21-24)34(45)40-29-13-12-28(31(20-29)35(36,37)38)22-44-16-14-43(2)15-17-44/h3-8,10,12-13,18-21H,14-17,22H2,1-2H3,(H,40,45)(H,39,41,42)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/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