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BDBM87408 6-[5-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester::6-keto-6-[2-keto-5-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester::MLS000050819::SMR000078446::cid_2217921::ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate::ethyl 6-[5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate::ethyl 6-[5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate

SMILES: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1

InChI Key: InChIKey=VYXKATGJKODPQR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87408   
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))		BDBM87408
PNG
(6-[5-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]meth...)
Show SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C17H22N4O5S/c1-3-26-14(24)7-5-4-6-12(22)15-11(19-16(25)21-15)9-27-17-18-10(2)8-13(23)20-17/h8H,3-7,9H2,1-2H3,(H,18,20,23)(H2,19,21,25)
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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