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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 = 'BDBM50436570'   
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))
BDBM50436570
PNG
(CHEMBL2397818)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(I)cc1
Show InChI InChI=1S/C19H15ClIN5/c20-17(13-6-8-14(21)9-7-13)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)
PDB
MMDB

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PC cid
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to recombinant wild type human Abl using abitide as substrate


J Med Chem 56: 5382-94 (2014)


Article DOI: 10.1021/jm400233w
BindingDB Entry DOI: 10.7270/Q29G5P63
More data for this
Ligand-Target Pair