BDBM50246991 CHEMBL509770::benzyl (R)-1-((2S,3S)-2-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-yl)carbamoyl)-3-methylpyrrolidin-1-yl)-1-oxo-4-phenylbutan-2-ylcarbamate

SMILES: C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=KEHSMQLNTXWZMZ-VLRDDJHDSA-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 = 50246991   

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
Prostasin (Homo sapiens (Human))	BDBM50246991 (CHEMBL509770 | benzyl (R)-1-((2S,3S)-2-(((S)-6-ami...) Show SMILES C[C@H]1CCN([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C37H43N5O6/c1-25-21-23-42(32(25)34(44)39-29(17-10-11-22-38)33(43)35-40-28-16-8-9-18-31(28)48-35)36(45)30(20-19-26-12-4-2-5-13-26)41-37(46)47-24-27-14-6-3-7-15-27/h2-9,12-16,18,25,29-30,32H,10-11,17,19-24,38H2,1H3,(H,39,44)(H,41,46)/t25-,29-,30+,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Binding affinity to human prostasin				Bioorg Med Chem Lett 18: 5895-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.029 BindingDB Entry DOI: 10.7270/Q2959HD4
					More data for this Ligand-Target Pair