BDBM50247007 ((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-carbonyl)-pentylcarbamoyl]-4-dimethylcarbamoyloxy-pyrrolidine-1-carbonyl}-3-phenyl-propyl)-carbamic acid benzyl ester::CHEMBL501405

SMILES: CN(C)C(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1

InChI Key: InChIKey=SQRGUOKOULINJW-HMMMRCIUSA-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 = 50247007   

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))	BDBM50247007 (((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-c...) Show SMILES CN(C)C(=O)O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C39H46N6O8/c1-44(2)39(50)52-28-23-32(35(47)41-30(18-11-12-22-40)34(46)36-42-29-17-9-10-19-33(29)53-36)45(24-28)37(48)31(21-20-26-13-5-3-6-14-26)43-38(49)51-25-27-15-7-4-8-16-27/h3-10,13-17,19,28,30-32H,11-12,18,20-25,40H2,1-2H3,(H,41,47)(H,43,49)/t28-,30+,31-,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.55E+3	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