BDBM50345192 5-(2-(2-benzyl-3-(tert-butylsulfonyl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-N-butyl-6-cyclohexyl-2-isopropyl-4-oxohexanamide::CHEMBL1783184

SMILES: CCCCNC(=O)C(CC(=O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C

InChI Key: InChIKey=AZRPRQTZEDQUGX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345192   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50345192 (5-(2-(2-benzyl-3-(tert-butylsulfonyl)propanamido)-...) Show SMILES CCCCNC(=O)C(CC(=O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C39H61N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-34H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University (GNU) Curated by ChEMBL					Assay Description Inhibition of human renin				Eur J Med Chem 46: 2469-76 (2011) Article DOI: 10.1016/j.ejmech.2011.03.035 BindingDB Entry DOI: 10.7270/Q2GM87NM
					More data for this Ligand-Target Pair				3D Structure (docked)