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BDBM87421 6-[5-[(2-hydroxyethylthio)methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester::6-[5-[(2-hydroxyethylthio)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester::MLS000521804::SMR000132212::cid_2897807::ethyl 6-[5-(2-hydroxyethylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate::ethyl 6-[5-(2-hydroxyethylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate

SMILES: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSCCO

InChI Key: InChIKey=HZSKZNFEBAKQEG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87421   
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))
BDBM87421
PNG
(6-[5-[(2-hydroxyethylthio)methyl]-2-keto-4-imidazo...)
Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSCCO
Show InChI InChI=1S/C14H22N2O5S/c1-2-21-12(19)6-4-3-5-11(18)13-10(9-22-8-7-17)15-14(20)16-13/h17H,2-9H2,1H3,(H2,15,16,20)
PDB
MMDB

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Article
PCBioAssay
n/an/a 695n/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