Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 640.7 BDBM50017786

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))	BDBM50017786 (CHEMBL408084 | {1-[1-(4-Azido-1-cyclohexylmethyl-2...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](CO)CN=[N+]=[N-] Show InChI InChI=1S/C32H48N8O6/c1-32(2,3)46-31(45)39-26(15-22-12-8-5-9-13-22)29(43)38-27(16-24-18-34-20-35-24)30(44)37-25(14-21-10-6-4-7-11-21)28(42)23(19-41)17-36-40-33/h5,8-9,12-13,18,20-21,23,25-28,41-42H,4,6-7,10-11,14-17,19H2,1-3H3,(H,34,35)(H,37,44)(H,38,43)(H,39,45)/t23-,25+,26-,27-,28+/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	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against purified human renal renin at pH 6.0				J Med Chem 32: 1371-8 (1989) BindingDB Entry DOI: 10.7270/Q2474BFR
					More data for this Ligand-Target Pair