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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 = 'BDBM223098'   
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))
BDBM223098
PNG
(Butyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoyl...)
Show SMILES CCCCOC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1/C25H29ClN6O3S/c1-4-5-11-35-25(34)32-10-9-17(14-32)19-12-21(29-16(3)28-19)30-24-27-13-20(36-24)23(33)31-22-15(2)7-6-8-18(22)26/h6-8,12-13,17H,4-5,9-11,14H2,1-3H3,(H,31,33)(H,27,28,29,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.661n/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