BDBM45745 5-({6-[4-(tert-butyl)phenoxy]-3-pyridinyl}amino)-5-oxopentanoic acid::5-[[6-(4-tert-butylphenoxy)-3-pyridinyl]amino]-5-oxopentanoic acid::5-[[6-(4-tert-butylphenoxy)-3-pyridyl]amino]-5-keto-valeric acid::5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-5-oxidanylidene-pentanoic acid::5-[[6-(4-tert-butylphenoxy)pyridin-3-yl]amino]-5-oxopentanoic acid::MLS000850396::SMR000456414::cid_2814284

SMILES CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(O)=O)cn2)cc1

InChI Key InChIKey=RGQLCMDSTXSTHF-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 = 45745   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45745BDBM45745(cid_2814284 | MLS000850396 | 5-[[6-(4-tert-butylph...)
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