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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50036972'   
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))		BDBM50036972
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(N)=O
Show InChI InChI=1S/C40H67N5O8/c1-5-6-17-35(53-36(25-30-15-11-8-12-16-30)39(49)45-22-18-31(19-23-45)52-27-51-4)38(48)44-33(24-29-13-9-7-10-14-29)34(46)26-32(28(2)3)37(47)42-20-21-43-40(41)50/h8,11-12,15-16,28-29,31-36,46H,5-7,9-10,13-14,17-27H2,1-4H3,(H,42,47)(H,44,48)(H3,41,43,50)/t32-,33-,34-,35-,36-/m0/s1
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PubMed
n/an/a 2.80n/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