Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1106.4 BDBM50406476

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))	BDBM50406476 (CHEMBL2028948) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C56H86N10O11S/c1-9-39(6)51(55(73)59-35-41-22-17-18-26-58-41)63-52(70)43(38(4)5)33-48(67)44(30-37(2)3)61-54(72)47(32-42-34-57-36-60-42)65(8)56(74)45(31-40-20-13-12-14-21-40)62-53(71)46-23-19-27-66(46)50(69)25-16-11-10-15-24-49(68)64(7)28-29-78(75,76)77/h12-14,17-18,20-22,26,34,36-39,43-48,51,67H,9-11,15-16,19,23-25,27-33,35H2,1-8H3,(H,57,60)(H,59,73)(H,61,72)(H,62,71)(H,63,70)(H,75,76,77)/p-1/t39-,43-,44-,45-,46-,47-,48?,51-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Inhibition of human plasma renin.				J Med Chem 34: 633-42 (1991) BindingDB Entry DOI: 10.7270/Q2H70DSZ
					More data for this Ligand-Target Pair