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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 = 'BDBM223104'   
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))
BDBM223104
PNG
(2-((6-((1-Acryloylpyrrolidin-3-yl)amino)-2-methylp...)
Show SMILES Cc1nc(NC2CCN(C2)C(=O)C=C)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
Show InChI InChI=1/C23H24ClN7O2S/c1-4-20(32)31-9-8-15(12-31)28-18-10-19(27-14(3)26-18)29-23-25-11-17(34-23)22(33)30-21-13(2)6-5-7-16(21)24/h4-7,10-11,15H,1,8-9,12H2,2-3H3,(H,30,33)(H2,25,26,27,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.205n/an/an/an/a7.525



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...


Chem Biol Drug Des 89: 420-427 (2017)


Article DOI: 10.1111/cbdd.12863
More data for this
Ligand-Target Pair