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=LPWZIUAFYHXPCS-PYHIYFCPSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM20996 ((2R)-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 112 | -9.48 | n/a | n/a | n/a | n/a | n/a | 5.5 | 25 |
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 |