Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.5 BDBM50012931

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))	BDBM50012931 (CHEMBL73980 | N-(1-Cyclohexylmethyl-2-hydroxy-hexy...) Show SMILES CCCCC(O)[C@H](CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(C)cn12 Show InChI InChI=1S/C24H39N5O2/c1-4-6-13-21(30)20(14-18-11-8-7-9-12-18)26-23(31)15-22-27-28-24-19(10-5-2)25-17(3)16-29(22)24/h16,18,20-21,30H,4-15H2,1-3H3,(H,26,31)/t20-,21?/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair