BDBM50246990 CHEMBL454436::benzyl (R)-1-((2S,3R)-2-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-yl)carbamoyl)-3-phenylpyrrolidin-1-yl)-1-oxo-4-phenylbutan-2-ylcarbamate

SMILES: NCCCC[C@H](NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2o1

InChI Key: InChIKey=NTAUDCVZBTZLNG-LXLNROOHSA-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 = 50246990   

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))	BDBM50246990 (CHEMBL454436 | benzyl (R)-1-((2S,3R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1[C@H](CCN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C42H45N5O6/c43-26-13-12-21-34(38(48)40-45-33-20-10-11-22-36(33)53-40)44-39(49)37-32(31-18-8-3-9-19-31)25-27-47(37)41(50)35(24-23-29-14-4-1-5-15-29)46-42(51)52-28-30-16-6-2-7-17-30/h1-11,14-20,22,32,34-35,37H,12-13,21,23-28,43H2,(H,44,49)(H,46,51)/t32-,34+,35-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	267	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