Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 573.7 BDBM347295

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))	BDBM347295 (US10202418, Compound A7) Show SMILES COc1ccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H43N3O5/c1-24(2)33(37-32(40)23-27-14-16-28(42-3)17-15-27)34(41)36-29(22-26-12-8-5-9-13-26)30(38)18-19-31(39)35-21-20-25-10-6-4-7-11-25/h4-17,24,29-30,33,38H,18-23H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t29-,30-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...				US Patent US10202418 (2019) BindingDB Entry DOI: 10.7270/Q2HD7XR3
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