BDBM44996 4-keto-2-[[2-keto-2-(2-thienyl)ethyl]thio]-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile::4-oxidanylidene-2-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::4-oxo-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::4-oxo-2-[(2-oxo-2-thiophen-2-ylethyl)thio]-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile::6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-thienyl)-1,6-dihydro-5-pyrimidinecarbonitrile::MLS000540217::SMR000162515::cid_1817439

SMILES O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1

InChI Key InChIKey=ROLRTMFEEBDCDD-UHFFFAOYSA-N

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 44996   

LigandPNGBDBM44996(6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-...)
Affinity DataEC50:  6.05E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44996(6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-...)
Affinity DataIC50: 2.41E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
Target26S proteasome non-ATPase regulatory subunit 14(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44996(6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-...)
Affinity DataIC50: 3.72E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetProthrombin(Bovine)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44996(6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-...)
Affinity DataIC50: 4.78E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM44996(6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-...)
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
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM44996(6-oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay