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BDBM21005 (2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-phenyl-1-[(2-phenylethyl)carbamoyl]ethyl]-2-[(2S)-2-[1-(4-phenylphenyl)acetamido]pentanamido]pentanamide::Tripeptide derivative, 13

SMILES: [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1

InChI Key: InChIKey=SXEFTKQZGBPELU-QOEXFKEZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21005   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin L1


(Homo sapiens (Human))
BDBM21005
PNG
((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-pheny...)
Show SMILES [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C42H51N7O4/c1-2-13-35(47-38(50)29-32-21-23-34(24-22-32)33-18-10-5-11-19-33)40(52)48-36(20-12-26-46-42(43)44)41(53)49-37(28-31-16-8-4-9-17-31)39(51)45-27-25-30-14-6-3-7-15-30/h3-11,14-19,21-24,35-37H,2,12-13,20,25-29H2,1H3,(H,45,51)(H,47,50)(H,48,52)(H,49,53)(H4,43,44,46)/t35-,36+,37-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
460 -8.64n/an/an/an/an/a5.525



National Research Council Canada



Assay Description
Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively....


J Med Chem 51: 1361-8 (2008)


Article DOI: 10.1021/jm701190v
BindingDB Entry DOI: 10.7270/Q21Z42QB
More data for this
Ligand-Target Pair