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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022584'   
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))		BDBM50022584
PNG
(2-Benzyl-5,5-dimethyl-4-oxo-hexanoic acid [1-(4-bu...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)C(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C40H63N5O5/c1-7-8-19-42-38(49)32(27(2)3)24-35(46)33(21-29-17-13-10-14-18-29)44-39(50)34(23-31-25-41-26-43-31)45-37(48)30(22-36(47)40(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,25-27,29-30,32-35,46H,7-8,10,13-14,17-24H2,1-6H3,(H,41,43)(H,42,49)(H,44,50)(H,45,48)/t30?,32-,33-,34-,35?/m0/s1
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MMDB

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n/an/a 6n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2

J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair