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BDBM50010905 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 ethylamide::CHEMBL43347

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

InChI Key: InChIKey=ULPIHKGHYZKGKE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010905   
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))
BDBM50010905
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)NCC)nnc12)-c1cccnc1
Show InChI InChI=1S/C28H35F2N7O3/c1-3-9-20-26-36-35-23(37(26)17-22(33-20)19-12-8-13-31-16-19)15-24(38)34-21(14-18-10-6-5-7-11-18)25(39)28(29,30)27(40)32-4-2/h8,12-13,16-18,21H,3-7,9-11,14-15H2,1-2H3,(H,32,40)(H,34,38)
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Similars

Article
PubMed
n/an/a 1.40n/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