BDBM45603 4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(2-furyl)prop-2-enylidene]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-{[3-(2-furyl)-2-propen-1-ylidene]amino}-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol::MLS000677563::SMR000271734::cid_1600860

SMILES S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1

InChI Key InChIKey=MUSJFLNMBQBELM-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 = 45603   

TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM45603(SMR000271734 | cid_1600860 | MLS000677563 | 4-[[(E...)
Affinity DataIC50: 2.54E+3nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM45603(SMR000271734 | cid_1600860 | MLS000677563 | 4-[[(E...)
Affinity DataIC50: 2.67E+4nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45603(SMR000271734 | cid_1600860 | MLS000677563 | 4-[[(E...)
Affinity DataIC50: 4.53E+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:
5/27/2011
Entry Details
PCBioAssay