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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 = 'BDBM50025051'   
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))
BDBM50025051
PNG
(CHEMBL461768)
Show SMILES CN1CCC(CC1)c1nc(Nc2ccc(cc2)P(C)(C)=O)c2ncn(\C=C\c3c(C)cccc3C)c2n1
Show InChI InChI=1S/C29H35N6OP/c1-20-7-6-8-21(2)25(20)15-18-35-19-30-26-28(31-23-9-11-24(12-10-23)37(4,5)36)32-27(33-29(26)35)22-13-16-34(3)17-14-22/h6-12,15,18-19,22H,13-14,16-17H2,1-5H3,(H,31,32,33)/b18-15+
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Article
PubMed
n/an/a<0.460n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


Bioorg Med Chem Lett 18: 4907-12 (2008)

More data for this
Ligand-Target Pair