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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 = 'BDBM50425786'   
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))
BDBM50425786
PNG
(CHEMBL2316870)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(C5CC5)c4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H31F3N6O/c1-20-3-5-24(16-23(20)6-4-21-15-27-29(22-7-8-22)38-39-30(27)36-18-21)31(42)37-26-10-9-25(28(17-26)32(33,34)35)19-41-13-11-40(2)12-14-41/h3,5,9-10,15-18,22H,7-8,11-14,19H2,1-2H3,(H,37,42)(H,36,38,39)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.840n/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