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BDBM50037000 (2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid (2-amino-ethyl)-amide::CHEMBL318340

SMILES: CCCC[C@H](N[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)NCCN

InChI Key: InChIKey=QDETWDAKRHLIJD-XYPUQJIVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037000   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM50037000
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
Show SMILES CCCC[C@H](N[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)NCCN
Show InChI InChI=1S/C39H67N5O6/c1-5-6-17-33(42-35(25-30-15-11-8-12-16-30)39(48)44-22-18-31(19-23-44)50-27-49-4)38(47)43-34(24-29-13-9-7-10-14-29)36(45)26-32(28(2)3)37(46)41-21-20-40/h8,11-12,15-16,28-29,31-36,42,45H,5-7,9-10,13-14,17-27,40H2,1-4H3,(H,41,46)(H,43,47)/t32-,33-,34-,35-,36-/m0/s1
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Similars
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to inhibit the human plasma renin

J Med Chem 37: 2991-3007 (1994)


BindingDB Entry DOI: 10.7270/Q26H4GFS
More data for this
Ligand-Target Pair