Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 919.1 BDBM50024182

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))	BDBM50024182 (4-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-ethanesu...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CCNC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C45H70N6O12S/c1-28(2)22-33(37(52)26-39(54)47-30(5)41(56)48-34(23-29(3)4)38(53)27-40(55)62-9)49-42(57)35(24-31-16-12-10-13-17-31)50-43(58)36(25-32-18-14-11-15-19-32)51-64(60,61)21-20-46-44(59)63-45(6,7)8/h10-19,28-30,33-38,51-53H,20-27H2,1-9H3,(H,46,59)(H,47,54)(H,48,56)(H,49,57)(H,50,58)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair