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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50046797'   
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))		BDBM50046797
PNG
(2-Benzyl-N*1*-[1-(1-cyclohexylmethyl-2,3-dihydroxy...)
Show SMILES COCCN(C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C35H54N4O6S/c1-24(2)17-31(40)33(42)29(19-26-13-9-6-10-14-26)37-35(44)30(21-28-22-46-23-36-28)38-34(43)27(18-25-11-7-5-8-12-25)20-32(41)39(3)15-16-45-4/h5,7-8,11-12,22-24,26-27,29-31,33,40,42H,6,9-10,13-21H2,1-4H3,(H,37,44)(H,38,43)/t27-,29+,30+,31+,33-/m1/s1
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Similars
PubMed
n/an/a 4.10n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human plasma renin at pH 7.4

J Med Chem 36: 460-7 (1993)


BindingDB Entry DOI: 10.7270/Q2VT1R5C
More data for this
Ligand-Target Pair