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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 = 'BDBM50215559'   
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))
BDBM50215559
PNG
(4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl...)
Show SMILES CN(CO)N=Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C25H24N8O2/c1-17-5-8-21(28-24(35)18-6-9-20(10-7-18)31-32-33(2)16-34)14-23(17)30-25-27-13-11-22(29-25)19-4-3-12-26-15-19/h3-15,34H,16H2,1-2H3,(H,28,35)(H,27,29,30)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



McGill University/Royal Victoria Hospital

Curated by ChEMBL


Assay Description
Inhibition of c-Abl


Bioorg Med Chem Lett 17: 4248-53 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.067
BindingDB Entry DOI: 10.7270/Q29K49XM
More data for this
Ligand-Target Pair