Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.7 BDBM50023077

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))	BDBM50023077 ((1-{1-[2-Hydroxy-1-isobutyl-4-(propane-2-sulfonyl)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CCS(=O)(=O)C(C)C Show InChI InChI=1S/C28H47N3O7S/c1-18(2)16-22(24(32)14-15-39(36,37)19(3)4)30-25(33)20(5)29-26(34)23(17-21-12-10-9-11-13-21)31-27(35)38-28(6,7)8/h9-13,18-20,22-24,32H,14-17H2,1-8H3,(H,29,34)(H,30,33)(H,31,35)/t20-,22-,23-,24-/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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition against purified human renin				J Med Chem 30: 1729-37 (1987) BindingDB Entry DOI: 10.7270/Q2MK6BW4
					More data for this Ligand-Target Pair