Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.6 BDBM50077677

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50077677 (2-(3-{4-[(3R,4R)-3-(Naphthalen-2-ylmethoxy)-piperi...) Show SMILES C(COCc1ccccn1)COc1ccc(cc1)[C@H]1CCNC[C@@H]1OCc1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N2O3/c1-2-7-27-20-24(9-10-25(27)6-1)22-36-31-21-32-17-15-30(31)26-11-13-29(14-12-26)35-19-5-18-34-23-28-8-3-4-16-33-28/h1-4,6-14,16,20,30-32H,5,15,17-19,21-23H2/t30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	210	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