BDBM21000 (2R)-5-[(diaminomethylidene)amino]-2-[(2R)-3-{[(4-methoxyphenyl)methyl]sulfanyl}-2-[1-(4-phenylphenyl)acetamido]propanamido]-N-[(1S)-2-phenyl-1-[(2-phenylethyl)carbamoyl]ethyl]pentanamide::Tripeptide derivative, 8

SMILES [#6]-[#8]-c1ccc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c2ccc(cc2)-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccccc2)cc1

InChI Key InChIKey=XJCGVVYWKJDMAI-UHFFFAOYSA-N

Data  1 KI

  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 = 21000   

TargetProcathepsin L(Human)
National Research Council Canada

LigandPNGBDBM21000((2R)-5-[(diaminomethylidene)amino]-2-[(2R)-3-{[(4-...)
Affinity DataKi:  464nM ΔG°:  -8.63kcal/molepH: 5.5 T: 2°CAssay Description:Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2008
Entry Details Article
PubMed