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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 = 'BDBM223094'   
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))
BDBM223094
PNG
(Methyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES COC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1/C22H23ClN6O3S/c1-12-5-4-6-15(23)19(12)28-20(30)17-10-24-21(33-17)27-18-9-16(25-13(2)26-18)14-7-8-29(11-14)22(31)32-3/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,28,30)(H,24,25,26,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.233n/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