Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.4 BDBM50352954

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))	BDBM50352954 (CHEMBL1824928) Show SMILES Fc1ccc(F)c(Oc2c(C(=O)N3CCNCC3)c3ncccc3n2-c2ccccc2)c1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-8-9-18(26)20(15-16)32-24-21(23(31)29-13-11-27-12-14-29)22-19(7-4-10-28-22)30(24)17-5-2-1-3-6-17/h1-10,15,27H,11-14H2	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	202	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
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