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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50421770'   
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))		BDBM50421770
PNG
(CHEMBL2311099)
Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C39H65N5O10/c1-22(2)17-27(30(45)20-32(47)40-25(7)35(49)41-28(18-23(3)4)31(46)21-33(48)53-11)42-37(51)34(24(5)6)44-36(50)29(19-26-15-13-12-14-16-26)43-38(52)54-39(8,9)10/h12-16,22-25,27-31,34,45-46H,17-21H2,1-11H3,(H,40,47)(H,41,49)(H,42,51)(H,43,52)(H,44,50)/t25-,27-,28-,29-,30?,31?,34-/m0/s1
PDB
MMDB

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n/an/a 65n/an/an/an/an/an/a



SANOFI Recherche

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin

J Med Chem 30: 2287-91 (1988)


BindingDB Entry DOI: 10.7270/Q2D50P7G
More data for this
Ligand-Target Pair