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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 = 'BDBM50323919'   
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


(Mus musculus)
BDBM50323919
PNG
(4-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ur...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)cc2)ccn1
Show InChI InChI=1S/C28H30N6O3/c1-18-6-10-20(11-7-18)34-25(17-24(33-34)28(2,3)4)32-27(36)31-19-8-12-21(13-9-19)37-22-14-15-30-23(16-22)26(35)29-5/h6-17H,1-5H3,(H,29,35)(H2,31,32,36)
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Article
PubMed
n/an/a 62.6n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay


Bioorg Med Chem 18: 5738-48 (2010)


Article DOI: 10.1016/j.bmc.2010.05.063
BindingDB Entry DOI: 10.7270/Q2HQ403C
More data for this
Ligand-Target Pair