BDBM33706 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone::1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone::MLS000555798::SMR000172956::cid_1440701

SMILES Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C

InChI Key InChIKey=FWOMHORVBSHZTK-UHFFFAOYSA-N

Data  4 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 33706   

TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33706(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
Affinity DataEC50:  6.13E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33706(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
Affinity DataIC50: 8.71E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33706(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
Affinity DataIC50: 9.12E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM33706(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
Affinity DataEC50:  1.47E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33706(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
Affinity DataIC50: 4.45E+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
LigandPNGBDBM33706(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,5,6-trime...)
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