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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50002991'   
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))
BDBM50002991
PNG
(4-tert-Butoxycarbonylamino-piperidine-1-carboxylic...)
Show SMILES CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1
Show InChI InChI=1S/C42H59N7O7S/c1-42(2,3)56-40(53)46-31-17-21-49(22-18-31)41(54)55-36(25-30-14-8-5-9-15-30)39(52)48-34(26-32-27-43-28-45-32)38(51)47-33(24-29-12-6-4-7-13-29)35(50)19-23-57-37-16-10-11-20-44-37/h5,8-11,14-16,20,27-29,31,33-36,50H,4,6-7,12-13,17-19,21-26H2,1-3H3,(H,43,45)(H,46,53)(H,47,51)(H,48,52)/t33-,34-,35-,36-/m0/s1
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Similars

Article
PubMed
n/an/a 230n/an/an/an/a5.5n/a



E. Merck Darmstadt

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.


J Med Chem 35: 3525-36 (1992)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair