BDBM33749 3-(6-Bromo-3-butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile::3-(6-bromanyl-3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile::3-(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile::3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile::3-[(6-bromo-3-butyl-2-methyl-4-quinolyl)thio]propionitrile::MLS000591727::SMR000218761::cid_1880613

SMILES CCCCc1c(C)nc2ccc(Br)cc2c1SCCC#N

InChI Key InChIKey=DXCDMEQEVRYHCJ-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 33749   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33749(MLS000591727 | 3-(6-Bromo-3-butyl-2-methyl-quinoli...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33749(MLS000591727 | 3-(6-Bromo-3-butyl-2-methyl-quinoli...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetGlycylpeptide N-tetradecanoyltransferase 1(Human)
Imperial College

Curated by ChEMBL
LigandPNGBDBM33749(MLS000591727 | 3-(6-Bromo-3-butyl-2-methyl-quinoli...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human N-myristoyltransferase 1 using human pp60Src92-16 amino acids) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetGlycylpeptide N-tetradecanoyltransferase 2(Human)
Imperial College

Curated by ChEMBL
LigandPNGBDBM33749(MLS000591727 | 3-(6-Bromo-3-butyl-2-methyl-quinoli...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human N-myristoyltransferase 2 using human pp60Src92-16 amino acids) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed