Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 556.6 BDBM50451346

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))	BDBM50451346 (CHEMBL4219013) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@H](N)C(N)=O)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H41FN4O5/c1-3-20-8-4-9-21(18-20)27-23(11-5-12-24(27)31)30(39,15-7-16-34-29(38)40-2)22-10-6-17-35(19-22)26(36)14-13-25(32)28(33)37/h4-5,8-9,11-12,18,22,25,39H,3,6-7,10,13-17,19,32H2,1-2H3,(H2,33,37)(H,34,38)/t22-,25+,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
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