BDBM50077675 3-(5-{4-[(3R,4R)-3-(Naphthalen-2-ylmethoxy)-piperidin-4-yl]-phenoxymethyl}-[1,2,4]oxadiazol-3-yl)-pyridine::CHEMBL442264

SMILES: C(Oc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1nc(no1)-c1cccnc1

InChI Key: InChIKey=QPQFSWJMOXNXDH-IZLXSDGUSA-N

Data: 1 IC50

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 = 50077675   

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
Renin (Homo sapiens (Human))	BDBM50077675 (3-(5-{4-[(3R,4R)-3-(Naphthalen-2-ylmethoxy)-piperi...) Show SMILES C(Oc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1)c1nc(no1)-c1cccnc1 Show InChI InChI=1S/C30H28N4O3/c1-2-5-24-16-21(7-8-22(24)4-1)19-36-28-18-32-15-13-27(28)23-9-11-26(12-10-23)35-20-29-33-30(34-37-29)25-6-3-14-31-17-25/h1-12,14,16-17,27-28,32H,13,15,18-20H2/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified recombinant human renin				Bioorg Med Chem Lett 9: 1397-402 (1999) BindingDB Entry DOI: 10.7270/Q24F1PWN
					More data for this Ligand-Target Pair