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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 = 'BDBM223090'   
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))
BDBM223090
PNG
(2-Morpholinoethyl 4-(6-((5-((2-chloro-6-methylphen...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C27H33ClN8O4S/c1-18-4-3-5-20(28)24(18)33-25(37)21-17-29-26(41-21)32-22-16-23(31-19(2)30-22)35-6-8-36(9-7-35)27(38)40-15-12-34-10-13-39-14-11-34/h3-5,16-17H,6-15H2,1-2H3,(H,33,37)(H,29,30,31,32)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.179n/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