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BDBM87472 2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide::2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide::2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide::2-[[4-methyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide::MLS001223198::N-(4-Isopropyl-phenyl)-2-(4-methyl-5-morpholin-4-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide::SMR000612947::cid_2972182

SMILES: CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1

InChI Key: InChIKey=ICWPUNAVKYBGBL-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87472   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87472
PNG
(2-[[4-methyl-5-(4-morpholinylmethyl)-1,2,4-triazol...)
Show SMILES CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1
Show InChI InChI=1S/C19H27N5O2S/c1-14(2)15-4-6-16(7-5-15)20-18(25)13-27-19-22-21-17(23(19)3)12-24-8-10-26-11-9-24/h4-7,14H,8-13H2,1-3H3,(H,20,25)
PDB
MMDB

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Article
PCBioAssay
n/an/a 1.42E+4n/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)


Article DOI: 10.1016/j.bioorg.2016.07.011
BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair