Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6 BDBM50022626

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))	BDBM50022626 (CHEMBL3142287 | {1-[1-(1-Cyclohexylmethyl-2,3-dihy...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CO Show InChI InChI=1S/C27H43N3O6/c1-18(24(33)29-21(23(32)17-31)15-19-11-7-5-8-12-19)28-25(34)22(16-20-13-9-6-10-14-20)30-26(35)36-27(2,3)4/h6,9-10,13-14,18-19,21-23,31-32H,5,7-8,11-12,15-17H2,1-4H3,(H,28,34)(H,29,33)(H,30,35)/t18?,21?,22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against renin				J Med Chem 31: 2264-76 (1989) BindingDB Entry DOI: 10.7270/Q2T72GDD
					More data for this Ligand-Target Pair