BDBM42546 6-[5-[[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester::6-oxo-6-[2-oxo-5-[[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester::MLS000585938::SMR000207719::cid_5290139::ethyl 6-(5-{[(5-isopropyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate::ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate::ethyl 6-oxo-6-[2-oxo-5-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate

SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1

InChI Key InChIKey=LZYVRKCGRKKISI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42546   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42546(6-[5-[[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-y...)
Affinity DataIC50:  3.46E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42546(6-[5-[[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-y...)
Affinity DataIC50:  7.63E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay