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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 = 'BDBM223087'   
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))
BDBM223087
PNG
(Phenyl 4-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CC2)C(=O)Oc2ccccc2)s1
Show InChI InChI=1S/C27H26ClN7O3S/c1-17-7-6-10-20(28)24(17)33-25(36)21-16-29-26(39-21)32-22-15-23(31-18(2)30-22)34-11-13-35(14-12-34)27(37)38-19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3,(H,33,36)(H,29,30,31,32)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.277n/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