BDBM50247002 ((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-carbonyl)-pentylcarbamoyl]-4-benzylcarbamoyloxy-pyrrolidine-1-carbonyl}-3-phenyl-propyl)-carbamic acid benzyl ester::CHEMBL500835

SMILES: NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)NCc1ccccc1)C(=O)c1nc2ccccc2o1

InChI Key: InChIKey=IQJHHVSVXUMNRI-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 = 50247002   

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))	BDBM50247002 (((R)-1-{(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-c...) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)NCc1ccccc1)C(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C44H48N6O8/c45-25-13-12-21-35(39(51)41-48-34-20-10-11-22-38(34)58-41)47-40(52)37-26-33(57-43(54)46-27-31-16-6-2-7-17-31)28-50(37)42(53)36(24-23-30-14-4-1-5-15-30)49-44(55)56-29-32-18-8-3-9-19-32/h1-11,14-20,22,33,35-37H,12-13,21,23-29,45H2,(H,46,54)(H,47,52)(H,49,55)/t33-,35+,36-,37+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	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