Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 671.9 BDBM50016002

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))	BDBM50016002 ((2R,4R)-[[1-Benzyl-4-(1-cyclohexylmethyl-2-hydroxy...) Show SMILES CCCCCC(CC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C Show InChI InChI=1S/C39H65N3O6/c1-8-9-12-21-31(25-35(44)33(24-30-19-15-11-16-20-30)42-38(47)48-39(5,6)7)37(46)41-32(23-29-17-13-10-14-18-29)34(43)22-28(4)36(45)40-26-27(2)3/h11,15-16,19-20,27,29,31-35,43-44H,4,8-10,12-14,17-18,21-26H2,1-3,5-7H3,(H,40,45)(H,41,46)(H,42,47)/t31?,32-,33-,34-,35?/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	19	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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