Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 699.9 BDBM50022961

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))	BDBM50022961 ((1-{1-[1-Cyclohexylmethyl-2-hydroxy-4-(4-methyl-pe...) Show SMILES CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H57N5O6S/c1-25(2)16-17-33(44)38-19-18-32(43)29(20-26-12-8-6-9-13-26)40-35(46)31(22-28-23-49-24-39-28)41-34(45)30(21-27-14-10-7-11-15-27)42-36(47)48-37(3,4)5/h7,10-11,14-15,23-26,29-32,43H,6,8-9,12-13,16-22H2,1-5H3,(H,38,44)(H,40,46)(H,41,45)(H,42,47)/t29-,30?,31?,32-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human renin				J Med Chem 30: 1224-8 (1987) BindingDB Entry DOI: 10.7270/Q2X63NJ7
					More data for this Ligand-Target Pair