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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50037013'   
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))		BDBM50037013
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)NCCNC(C)=O
Show InChI InChI=1S/C41H68N4O8/c1-6-7-18-37(53-38(26-32-16-12-9-13-17-32)41(50)45-23-19-33(20-24-45)52-28-51-5)40(49)44-35(25-31-14-10-8-11-15-31)36(47)27-34(29(2)3)39(48)43-22-21-42-30(4)46/h9,12-13,16-17,29,31,33-38,47H,6-8,10-11,14-15,18-28H2,1-5H3,(H,42,46)(H,43,48)(H,44,49)/t34-,35-,36-,37-,38-/m0/s1
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PubMed
n/an/a 2.60n/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