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BDBM50010901 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)-3-pyridin-3-yl-propionylamino]-pentanoic acid (3-methyl-butyl)-amide::CHEMBL264854

SMILES: CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCC(C)C)-c1cccnc1

InChI Key: InChIKey=RJBYFTSNSHBCAM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010901   
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))
BDBM50010901
PNG
(5-Cyclohexyl-2,2-difluoro-3-oxo-4-[2-(8-propyl-6-p...)
Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCC(C)C)-c1cccnc1
Show InChI InChI=1S/C37H46F2N8O3/c1-4-10-29-34-46-45-33(47(34)23-31(43-29)27-14-9-17-41-22-27)28(19-26-13-8-16-40-21-26)35(49)44-30(20-25-11-6-5-7-12-25)32(48)37(38,39)36(50)42-18-15-24(2)3/h8-9,13-14,16-17,21-25,28,30H,4-7,10-12,15,18-20H2,1-3H3,(H,42,50)(H,44,49)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.80n/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