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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 = 'BDBM87447'   
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))
BDBM87447
PNG
(MLS000719269 | N-(3-fluoranyl-2-methyl-phenyl)-6-(...)
Show SMILES CC1NC(=O)NC1CCCCCC(=O)Nc1cccc(F)c1C
Show InChI InChI=1S/C17H24FN3O2/c1-11-13(18)7-6-9-14(11)20-16(22)10-5-3-4-8-15-12(2)19-17(23)21-15/h6-7,9,12,15H,3-5,8,10H2,1-2H3,(H,20,22)(H2,19,21,23)
PDB
MMDB

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PCBioAssay
n/an/a 14.3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair