BDBM50036974 1N-[2-amino(cyanoimino)methylaminoethyl]-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::CHEMBL101873

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)NCCNC(N)=NC#N

InChI Key: InChIKey=CXAHVCPUQJPCIN-LTLCPEALSA-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 = 50036974   

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))	BDBM50036974 (1N-[2-amino(cyanoimino)methylaminoethyl]-5-[1-[1-b...) 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)NCCNC(N)=NC#N |w:52.55| Show InChI InChI=1S/C41H67N7O7/c1-5-6-17-36(55-37(25-31-15-11-8-12-16-31)40(52)48-22-18-32(19-23-48)54-28-53-4)39(51)47-34(24-30-13-9-7-10-14-30)35(49)26-33(29(2)3)38(50)44-20-21-45-41(43)46-27-42/h8,11-12,15-16,29-30,32-37,49H,5-7,9-10,13-14,17-26,28H2,1-4H3,(H,44,50)(H,47,51)(H3,43,45,46)/t33-,34-,35-,36-,37-/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	1.80	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