BDBM50246999 CHEMBL500474::benzyl (R)-1-((2S,4R)-2-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-yl)carbamoyl)-4-(cyclohexylmethoxy)pyrrolidin-1-yl)-1-oxo-4-phenylbutan-2-ylcarbamate

SMILES: NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCC1CCCCC1)C(=O)c1nc2ccccc2o1

InChI Key: InChIKey=FGTUNZXVJIYOAM-JTTJSRJUSA-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 = 50246999   

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))	BDBM50246999 (CHEMBL500474 | benzyl (R)-1-((2S,4R)-2-(((S)-6-ami...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OCC1CCCCC1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C43H53N5O7/c44-25-13-12-21-35(39(49)41-46-34-20-10-11-22-38(34)55-41)45-40(50)37-26-33(53-28-31-16-6-2-7-17-31)27-48(37)42(51)36(24-23-30-14-4-1-5-15-30)47-43(52)54-29-32-18-8-3-9-19-32/h1,3-5,8-11,14-15,18-20,22,31,33,35-37H,2,6-7,12-13,16-17,21,23-29,44H2,(H,45,50)(H,47,52)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	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