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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50084651'   
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))		BDBM50084651
PNG
(3-{2-[2-Benzyl-4-(4-methylamino-piperidin-1-yl)-4-...)
Show SMILES CNC1CCN(CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Show InChI InChI=1S/C34H54N4O6S/c1-23(2)44-34(43)31(40)28(20-25-13-9-6-10-14-25)36-33(42)29(22-45-4)37-32(41)26(19-24-11-7-5-8-12-24)21-30(39)38-17-15-27(35-3)16-18-38/h5,7-8,11-12,23,25-29,31,35,40H,6,9-10,13-22H2,1-4H3,(H,36,42)(H,37,41)/t26-,28+,29+,31-/m1/s1
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MMDB

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n/an/a 4n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory concentration against Renin

J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair