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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50036984'   
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))		BDBM50036984
PNG
((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...)
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)NCC(C)(C)N
Show InChI InChI=1S/C41H70N4O7/c1-7-8-19-36(52-37(25-31-17-13-10-14-18-31)40(49)45-22-20-32(21-23-45)51-28-50-6)39(48)44-34(24-30-15-11-9-12-16-30)35(46)26-33(29(2)3)38(47)43-27-41(4,5)42/h10,13-14,17-18,29-30,32-37,46H,7-9,11-12,15-16,19-28,42H2,1-6H3,(H,43,47)(H,44,48)/t33-,34-,35-,36-,37-/m0/s1
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Similars
PubMed
n/an/a 4.70n/an/an/an/a7.4n/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