Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 253.3 BDBM50268091

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))	BDBM50268091 (CHEMBL4094484) Show SMILES CCc1nc(N)nc(N)c1-c1cccc2cc[nH]c12 |(19.52,-24.57,;20.85,-25.35,;20.85,-26.89,;19.52,-27.65,;19.52,-29.19,;18.18,-29.97,;20.85,-29.97,;22.18,-29.19,;23.52,-29.97,;22.18,-27.65,;23.52,-26.89,;23.52,-25.35,;24.85,-24.57,;26.19,-25.35,;26.19,-26.89,;27.33,-27.91,;26.7,-29.32,;25.17,-29.16,;24.85,-27.65,)| Show InChI InChI=1S/C14H15N5/c1-2-10-11(13(15)19-14(16)18-10)9-5-3-4-8-6-7-17-12(8)9/h3-7,17H,2H2,1H3,(H4,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair