Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 567.7 BDBM50451342

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))	BDBM50451342 (CHEMBL4214993) Show SMILES [H][C@]1(CCCN(C1)C(=O)CCC1CCCCN1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C33H46FN3O4/c1-3-24-10-6-11-25(22-24)31-28(14-7-15-29(31)34)33(40,18-9-20-36-32(39)41-2)26-12-8-21-37(23-26)30(38)17-16-27-13-4-5-19-35-27/h6-7,10-11,14-15,22,26-27,35,40H,3-5,8-9,12-13,16-21,23H2,1-2H3,(H,36,39)/t26-,27?,33?/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	126	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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