BDBM40943 (2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester::2-[(2-isopropylquinazolin-4-yl)thio]acetic acid methyl ester::2-[(2-propan-2-yl-4-quinazolinyl)thio]acetic acid methyl ester::MLS000074241::SMR000006837::cid_652110::methyl 2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetate::methyl 2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoate

SMILES COC(=O)CSc1nc(nc2ccccc12)C(C)C

InChI Key InChIKey=RXCTXYJPRWUXHX-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 40943   

TargetFocal adhesion kinase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40943(SMR000006837 | (2-Isopropyl-quinazolin-4-ylsulfany...)
Affinity DataIC50: 1.25E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetProtein-tyrosine kinase 2-beta(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40943(SMR000006837 | (2-Isopropyl-quinazolin-4-ylsulfany...)
Affinity DataIC50: 6.95E+4nMAssay 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 Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetMajor prion protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM40943(SMR000006837 | (2-Isopropyl-quinazolin-4-ylsulfany...)
Affinity DataIC50: 910nMAssay 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 Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay