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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50084618'   
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))		BDBM50084618
PNG
(5-{2-[3-Benzyl-4-(4-methyl-piperazine-1-carbonyl)-...)
Show SMILES CCCC[C@H](N1CCN([C@H](Cc2ccccc2)C1=O)C(=O)N1CCN(C)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC
Show InChI InChI=1S/C41H68N6O5/c1-6-8-19-35(39(50)43-34(27-31-15-11-9-12-16-31)37(48)29-33(30(3)4)38(49)42-20-7-2)46-25-26-47(41(52)45-23-21-44(5)22-24-45)36(40(46)51)28-32-17-13-10-14-18-32/h10,13-14,17-18,30-31,33-37,48H,6-9,11-12,15-16,19-29H2,1-5H3,(H,42,49)(H,43,50)/t33-,34-,35-,36+,37-/m0/s1
PDB
MMDB

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Similars
PubMed
n/an/a 7.10n/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