BDBM47381 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester::6-benzyl-2-[[2-(2-pyrimidylthio)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester::UNM000011097301::cid_2007903::ethyl 6-(phenylmethyl)-2-(2-pyrimidin-2-ylsulfanylethanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate::ethyl 6-benzyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

SMILES CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2CN(Cc3ccccc3)CCc12

InChI Key InChIKey=DTWIIKJJMVZEDY-UHFFFAOYSA-N

Data  1 IC50  1 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 2 hits for monomerid = 47381   

LigandPNGBDBM47381(ethyl 6-(phenylmethyl)-2-(2-pyrimidin-2-ylsulfanyl...)
Affinity DataEC50:  1.88E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...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
LigandPNGBDBM47381(ethyl 6-(phenylmethyl)-2-(2-pyrimidin-2-ylsulfanyl...)
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