BDBM50036977 1N-[3-amino(cyanoimino)methylaminopropyl]-5-[1-[1-benzyl-2-(4-methoxymethoxyhexahydro-1-pyridinyl)-2-oxo-(1S)-ethyloxy]-(1S)-pentylcarboxamido]-4-hydroxy-2-isopropyl-6-phenyl-(2S,4S,5S)-hexanamide::CHEMBL317329

SMILES: CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(N)=NC#N

InChI Key: InChIKey=WQUQYPOZTJXRHO-LQWITFIISA-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 = 50036977   

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))	BDBM50036977 (1N-[3-amino(cyanoimino)methylaminopropyl]-5-[1-[1-...) Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCNC(N)=NC#N |w:53.56| Show InChI InChI=1S/C42H69N7O7/c1-5-6-18-37(56-38(26-32-16-11-8-12-17-32)41(53)49-23-19-33(20-24-49)55-29-54-4)40(52)48-35(25-31-14-9-7-10-15-31)36(50)27-34(30(2)3)39(51)45-21-13-22-46-42(44)47-28-43/h8,11-12,16-17,30-31,33-38,50H,5-7,9-10,13-15,18-27,29H2,1-4H3,(H,45,51)(H,48,52)(H3,44,46,47)/t34-,35-,36-,37-,38-/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	1.5	n/a	n/a	n/a	n/a	7.4	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair