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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50009917'   
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))		BDBM50009917
PNG
(6-(3-Methyl-thioureido)-2-(3-naphthalen-1-yl-2-nap...)
Show SMILES CCC(C)CNC(=O)C[C@H](O)C(CC1CCCCC1)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C48H65N5O4S/c1-4-33(2)32-51-45(55)31-44(54)43(28-34-16-6-5-7-17-34)53-47(57)42(26-12-13-27-50-48(58)49-3)52-46(56)39(29-37-22-14-20-35-18-8-10-24-40(35)37)30-38-23-15-21-36-19-9-11-25-41(36)38/h8-11,14-15,18-25,33-34,39,42-44,54H,4-7,12-13,16-17,26-32H2,1-3H3,(H,51,55)(H,52,56)(H,53,57)(H2,49,50,58)/t33?,42?,43?,44-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey plasma renin.

J Med Chem 34: 1258-71 (1991)


BindingDB Entry DOI: 10.7270/Q21C1VT6
More data for this
Ligand-Target Pair