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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 = 'BDBM223096'   
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))
BDBM223096
PNG
(Isopropyl 3-(6-((5-((2-chloro-6-methylphenyl)carba...)
Show SMILES CC(C)OC(=O)N1CCC(C1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
Show InChI InChI=1/C24H27ClN6O3S/c1-13(2)34-24(33)31-9-8-16(12-31)18-10-20(28-15(4)27-18)29-23-26-11-19(35-23)22(32)30-21-14(3)6-5-7-17(21)25/h5-7,10-11,13,16H,8-9,12H2,1-4H3,(H,30,32)(H,26,27,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.499n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair