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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50036994'   
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))		BDBM50036994
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)NCCNCCO
Show InChI InChI=1S/C41H71N5O7/c1-5-6-17-35(44-37(27-32-15-11-8-12-16-32)41(51)46-23-18-33(19-24-46)53-29-52-4)40(50)45-36(26-31-13-9-7-10-14-31)38(48)28-34(30(2)3)39(49)43-21-20-42-22-25-47/h8,11-12,15-16,30-31,33-38,42,44,47-48H,5-7,9-10,13-14,17-29H2,1-4H3,(H,43,49)(H,45,50)/t34-,35-,36-,37-,38-/m0/s1
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n/an/a 11n/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