BDBM50121288 2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-propionylamino]-5-guanidino-pentanoic acid (1-phenethylcarbamoyl-propyl)-amide::CHEMBL149789

SMILES: CCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=YVZVKPQGXBZIAX-UHFFFAOYSA-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 = 50121288   

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))	BDBM50121288 (2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-prop...) Show SMILES CCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C35H45N7O4S/c1-2-28(32(44)38-21-19-24-10-5-3-6-11-24)41-33(45)29(14-9-20-39-35(36)37)42-34(46)30(23-47)40-31(43)22-25-15-17-27(18-16-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28-30,47H,2,9,14,19-23H2,1H3,(H,38,44)(H,40,43)(H,41,45)(H,42,46)(H4,36,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council of Canada Curated by ChEMBL					Assay Description Inhibitory activity against human Cathepsin L				J Med Chem 45: 5321-9 (2002) BindingDB Entry DOI: 10.7270/Q23B5ZH6
					More data for this Ligand-Target Pair