Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 657.9 BDBM50016001

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))	BDBM50016001 ((2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy...) Show SMILES CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C38H63N3O6/c1-25(2)19-30(23-34(43)32(22-29-17-13-10-14-18-29)41-37(46)47-38(6,7)8)36(45)40-31(21-28-15-11-9-12-16-28)33(42)20-27(5)35(44)39-24-26(3)4/h10,13-14,17-18,25-26,28,30-34,42-43H,5,9,11-12,15-16,19-24H2,1-4,6-8H3,(H,39,44)(H,40,45)(H,41,46)/t30?,31-,32-,33-,34?/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production				J Med Chem 33: 371-4 (1990) BindingDB Entry DOI: 10.7270/Q26972J7
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