BDBM50121293 2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-propionylamino]-5-guanidino-pentanoic acid (2-biphenyl-4-yl-1-phenethylcarbamoyl-ethyl)-amide::CHEMBL146795

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

InChI Key: InChIKey=DKHUHZQCFWYEJO-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 = 50121293   

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))	BDBM50121293 (2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-prop...) Show SMILES NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C46H51N7O4S/c47-46(48)50-27-10-17-39(52-45(57)41(31-58)51-42(54)30-34-20-24-38(25-21-34)36-15-8-3-9-16-36)44(56)53-40(43(55)49-28-26-32-11-4-1-5-12-32)29-33-18-22-37(23-19-33)35-13-6-2-7-14-35/h1-9,11-16,18-25,39-41,58H,10,17,26-31H2,(H,49,55)(H,51,54)(H,52,57)(H,53,56)(H4,47,48,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	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