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BDBM50010906 5-Cyclohexyl-2,2-difluoro-3-oxo-4-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-pentanoic acid (3-methyl-butyl)-amide::CHEMBL38847

SMILES: CCCc1nc(cn2c(CC(=O)NC(CC3CCCCC3)C(=O)C(F)(F)C(=O)NCCC(C)C)nnc12)-c1cccnc1

InChI Key: InChIKey=HDAKHMNQQJQBBK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010906   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50010906
PNG
(5-Cyclohexyl-2,2-difluoro-3-oxo-4-[2-(8-propyl-6-p...)
Show SMILES CCCc1nc(cn2c(CC(=O)NC(CC3CCCCC3)C(=O)C(F)(F)C(=O)NCCC(C)C)nnc12)-c1cccnc1
Show InChI InChI=1S/C31H41F2N7O3/c1-4-9-23-29-39-38-26(40(29)19-25(36-23)22-12-8-14-34-18-22)17-27(41)37-24(16-21-10-6-5-7-11-21)28(42)31(32,33)30(43)35-15-13-20(2)3/h8,12,14,18-21,24H,4-7,9-11,13,15-17H2,1-3H3,(H,35,43)(H,37,41)
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Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 34: 151-7 (1991)


Article DOI: 10.1021/jm00105a022
BindingDB Entry DOI: 10.7270/Q2251H5S
More data for this
Ligand-Target Pair