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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50037019'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Renin


(Homo sapiens (Human))		BDBM50037019
PNG
(3-((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxym...)
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)NCCC(=O)OCc1ccccc1
Show InChI InChI=1S/C47H72N4O8/c1-5-6-22-40(49-42(30-36-18-12-8-13-19-36)47(56)51-27-24-38(25-28-51)59-33-57-4)46(55)50-41(29-35-16-10-7-11-17-35)43(52)31-39(34(2)3)45(54)48-26-23-44(53)58-32-37-20-14-9-15-21-37/h8-9,12-15,18-21,34-35,38-43,49,52H,5-7,10-11,16-17,22-33H2,1-4H3,(H,48,54)(H,50,55)/t39-,40-,41-,42-,43-/m0/s1
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PubMed
n/an/a 23n/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