BDBM55945 1-(2-chlorophenyl)-3-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]urea::1-(2-chlorophenyl)-3-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]urea::1-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-3-(2-chloro-phenyl)-urea::1-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(2-chlorophenyl)urea::1-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)urea::MLS000068046::SMR000000940::cid_645127

SMILES Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1

InChI Key InChIKey=AERJPFUBOKHEMQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 55945   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM55945(MLS000068046 | 1-(2-chlorophenyl)-3-[[4-methyl-5-(...)
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