BDBM20996 (2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hydroxyphenyl)-1-[(2-phenylethyl)carbamoyl]ethyl]-2-[(2R)-3-{[(4-methoxyphenyl)methyl]sulfanyl}-2-[1-(4-phenylphenyl)acetamido]propanamido]pentanamide::Tripeptide derivative, 3

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]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccccc2)cc1

InChI Key InChIKey=VCSQRTNGZTUELJ-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 = 20996   

TargetProcathepsin L(Human)
National Research Council Canada

LigandPNGBDBM20996((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...)
Affinity DataKi:  112nM ΔG°:  -9.48kcal/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