Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.4 BDBM50329021

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))	BDBM50329021 ((1-(4-fluorophenyl)-2-phenoxy-1H-indol-3-yl)(piper...) Show SMILES Fc1ccc(cc1)-n1c(Oc2ccccc2)c(C(=O)N2CCNCC2)c2ccccc12 Show InChI InChI=1S/C25H22FN3O2/c26-18-10-12-19(13-11-18)29-22-9-5-4-8-21(22)23(24(30)28-16-14-27-15-17-28)25(29)31-20-6-2-1-3-7-20/h1-13,27H,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	707	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using flurorogenic substrate by microplate spectrofluorometer				Bioorg Med Chem Lett 20: 6268-72 (2010) Article DOI: 10.1016/j.bmcl.2010.08.092 BindingDB Entry DOI: 10.7270/Q2VH5P2M
					More data for this Ligand-Target Pair				3D Structure (docked)