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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21005   

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))	BDBM21005 ((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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	460	-8.64	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