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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50280493'   
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))		BDBM50280493
PNG
(CHEMBL430077 | {(S)-1-[(S)-1-((S)-1-Cyclohexylmeth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H44F3N3O5/c1-19(2)16-23(26(38)34-22(25(37)30(31,32)33)17-20-12-8-6-9-13-20)35-27(39)24(18-21-14-10-7-11-15-21)36-28(40)41-29(3,4)5/h7,10-11,14-15,19-20,22-24H,6,8-9,12-13,16-18H2,1-5H3,(H,34,38)(H,35,39)(H,36,40)/t22-,23-,24-/m0/s1
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MMDB

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Article
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit human plasma renin by 50% using radio-immunoassay was determined

Bioorg Med Chem Lett 2: 651-654 (1992)


Article DOI: 10.1016/S0960-894X(00)80383-2
BindingDB Entry DOI: 10.7270/Q2KP822J
More data for this
Ligand-Target Pair