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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50012925'   
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))
BDBM50012925
PNG
(2-Amino-6-(1-{1-cyclohexylmethyl-2-hydroxy-4-[2-(8...)
Show SMILES CC(C)CC(NCCCC[C@H](N)C(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Show InChI InChI=1S/C46H65N9O6/c1-29(2)22-37-43-54-53-42(55(43)28-39(50-37)33-17-9-6-10-18-33)34(24-32-16-13-20-48-27-32)44(58)52-41(57)26-40(56)36(25-31-14-7-5-8-15-31)51-45(59)38(23-30(3)4)49-21-12-11-19-35(47)46(60)61/h6,9-10,13,16-18,20,27-31,34-36,38,40,49,56H,5,7-8,11-12,14-15,19,21-26,47H2,1-4H3,(H,51,59)(H,60,61)(H,52,57,58)/t34?,35-,36-,38?,40-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen


J Med Chem 33: 2326-34 (1990)


Article DOI: 10.1021/jm00171a005
BindingDB Entry DOI: 10.7270/Q2H13105
More data for this
Ligand-Target Pair