BDBM45309 3-[[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one::3-[[(1-cyclohexyl-5-tetrazolyl)methyl-(2-oxolanylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one::3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one::3-[[(1-cyclohexyltetrazol-5-yl)methyl-(tetrahydrofurfuryl)amino]methyl]-5,8-dimethyl-carbostyril::3-{[(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amino]-methyl}-5,8-dimethyl-1H-quinolin-2-one::MLS000071655::SMR000003206::cid_654209

SMILES Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)Cc3nnnn3C3CCCCC3)cc12

InChI Key InChIKey=PNVUPSJQVJOYGR-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 45309   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45309(SMR000003206 | 3-{[(1-Cyclohexyl-1H-tetrazol-5-ylm...)
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:
5/27/2011
Entry Details
PCBioAssay